(5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one

C70H103FN20O7 — CID 159778754

IUPAC(5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one
SMILESCCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(OC)cnc12.CCCC[C@H](CCC(C)=O)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(O)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(OCC)cnc12
InChIInChI=1S/C19H29N5O2.C18H27N5O2.C17H25N5O2.C16H22FN5O/c1-5-7-9-19(4,10-8-13(3)25)24-17-16-15(22-18(20)23-17)11-14(12-21-16)26-6-2;1-5-6-8-18(3,9-7-12(2)24)23-16-15-14(21-17(19)22-16)10-13(25-4)11-20-15;1-4-5-7-17(3,8-6-11(2)23)22-15-14-13(20-16(18)21-15)9-12(24)10-19-14;1-3-4-5-12(7-6-10(2)23)20-15-14-13(21-16(18)22-15)8-11(17)9-19-14/h11-12H,5-10H2,1-4H3,(H3,20,22,23,24);10-11H,5-9H2,1-4H3,(H3,19,21,22,23);9-10,24H,4-8H2,1-3H3,(H3,18,20,21,22);8-9,12H,3-7H2,1-2H3,(H3,18,20,21,22)/t19-;18-;17-;12-/m1011/s1
InChIKeyNHBYDZQPOFZJNL-UWMJMRHGSA-N
MW1355.72 g/mol
LogP13.21
Rot. Bonds35

About (5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one

(5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one (PubChem CID 159778754) has the molecular formula C70H103FN20O7 and a molecular weight of 1355.72 g/mol. Its IUPAC name is (5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one.

Molecular Properties

Compound Name(5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one
PubChem CID159778754
Molecular FormulaC70H103FN20O7
Molecular Weight1355.72 g/mol
Exact Mass1354.83
IUPAC Name(5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one
SMILESCCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(OC)cnc12.CCCC[C@H](CCC(C)=O)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(O)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(OCC)cnc12
InChIInChI=1S/C19H29N5O2.C18H27N5O2.C17H25N5O2.C16H22FN5O/c1-5-7-9-19(4,10-8-13(3)25)24-17-16-15(22-18(20)23-17)11-14(12-21-16)26-6-2;1-5-6-8-18(3,9-7-12(2)24)23-16-15-14(21-17(19)22-16)10-13(25-4)11-20-15;1-4-5-7-17(3,8-6-11(2)23)22-15-14-13(20-16(18)21-15)9-12(24)10-19-14;1-3-4-5-12(7-6-10(2)23)20-15-14-13(21-16(18)22-15)8-11(17)9-19-14/h11-12H,5-10H2,1-4H3,(H3,20,22,23,24);10-11H,5-9H2,1-4H3,(H3,19,21,22,23);9-10,24H,4-8H2,1-3H3,(H3,18,20,21,22);8-9,12H,3-7H2,1-2H3,(H3,18,20,21,22)/t19-;18-;17-;12-/m1011/s1
InChIKeyNHBYDZQPOFZJNL-UWMJMRHGSA-N
XLogP13.21
TPSA413.85 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds35
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001355.72
LogP ≤ 513.21
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze (5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(pyrido[3,2-d]pyrimidin-4-ylamino)butanoic acid
CID 139467259
(2S)-2-[(7-fluoro-2-methylquinazolin-4-yl)amino]-4-[2-[(6-methyl-3-pyridinyl)oxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 152574476
(2S)-4-[2-[(2-methyl-3-pyridinyl)oxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(pyrido[3,2-d]pyrimidin-4-ylamino)butanoic acid
CID 139467075
(2S)-4-[2-[(6-methyl-3-pyridinyl)oxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(pyrido[3,2-d]pyrimidin-4-ylamino)butanoic acid
CID 139467154
2-(4-{5-[4-(6,7-Difluoro-3-quinolylamino)-2-pyrimidinylamino]-3-methoxy-2-pyridyl}-2-piperazinyl)-2-propanol
CID 176369070
6-[[[3-fluoro-1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10195654
(1R,3S,4R)-3-fluoro-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]cyclohexane-1-carboxamide
CID 10480294
6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 11442648
N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 69551522
6-[[[(3R,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-hydroxy-3-methylpiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 69552086
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 69657364
(4-fluorophenyl)-[(2R)-4-(5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazin-2-yl]methanol
CID 90100047

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one?
The IUPAC name of (5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one (CID 159778754) is (5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one.
What is the SMILES notation for (5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one?
The canonical SMILES for (5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one is CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(OC)cnc12.CCCC[C@H](CCC(C)=O)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(O)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(OCC)cnc12.
What is the InChIKey of (5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one?
The InChIKey is NHBYDZQPOFZJNL-UWMJMRHGSA-N. The full InChI is InChI=1S/C19H29N5O2.C18H27N5O2.C17H25N5O2.C16H22FN5O/c1-5-7-9-19(4,10-8-13(3)25)24-17-16-15(22-18(20)23-17)11-14(12-21-16)26-6-2;1-5-6-8-18(3,9-7-12(2)24)23-16-15-14(21-17(19)22-16)10-13(25-4)11-20-15;1-4-5-7-17(3,8-6-11(2)23)22-15-14-13(20-16(18)21-15)9-12(24)10-19-14;1-3-4-5-12(7-6-10(2)23)20-15-14-13(21-16(18)22-15)8-11(17)9-19-14/h11-12H,5-10H2,1-4H3,(H3,20,22,23,24);10-11H,5-9H2,1-4H3,(H3,19,21,22,23);9-10,24H,4-8H2,1-3H3,(H3,18,20,21,22);8-9,12H,3-7H2,1-2H3,(H3,18,20,21,22)/t19-;18-;17-;12-/m1011/s1.
What are the key properties of (5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one?
(5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one has a molecular weight of 1355.72 g/mol, XLogP of 13.21, 35 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;(5R)-5-[(2-amino-7-hydroxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one is sourced from PubChem (CID 159778754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).