(2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol

C23H33N7O — CID 162680433

IUPAC(2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCC[C@](C)(CO)Nc1cc(N)nc2cc(-c3cnc(N(CC)CC)nc3)cnc12
InChIInChI=1S/C23H33N7O/c1-5-8-9-23(4,15-31)29-19-11-20(24)28-18-10-16(12-25-21(18)19)17-13-26-22(27-14-17)30(6-2)7-3/h10-14,31H,5-9,15H2,1-4H3,(H3,24,28,29)/t23-/m1/s1
InChIKeyNLWYVMVGXDCFFA-HSZRJFAPSA-N
MW423.57 g/mol
LogP3.87
Rot. Bonds10

About (2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol

(2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol (PubChem CID 162680433) has the molecular formula C23H33N7O and a molecular weight of 423.57 g/mol. Its IUPAC name is (2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol
PubChem CID162680433
Molecular FormulaC23H33N7O
Molecular Weight423.57 g/mol
Exact Mass423.27
IUPAC Name(2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCC[C@](C)(CO)Nc1cc(N)nc2cc(-c3cnc(N(CC)CC)nc3)cnc12
InChIInChI=1S/C23H33N7O/c1-5-8-9-23(4,15-31)29-19-11-20(24)28-18-10-16(12-25-21(18)19)17-13-26-22(27-14-17)30(6-2)7-3/h10-14,31H,5-9,15H2,1-4H3,(H3,24,28,29)/t23-/m1/s1
InChIKeyNLWYVMVGXDCFFA-HSZRJFAPSA-N
XLogP3.87
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.57
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol with MolForge

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Related Compounds

2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol
CID 175339483
4-N-(1-amino-2-methylhexan-2-yl)-1,5-naphthyridine-2,4-diamine
CID 171782266
(2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 178073861
2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
CID 122585081
4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one
CID 178072054
N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide
CID 162680445
2-[[2-amino-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-4-yl]amino]ethanol
CID 154649473
[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone
CID 166010273
4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-5-[[but-3-enyl(propan-2-yl)amino]methyl]-1H-pyridin-2-one
CID 176755016
N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 134319204
2-[[2-amino-7-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 170180938
(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 159451509

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol?
The IUPAC name of (2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol (CID 162680433) is (2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol.
What is the SMILES notation for (2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol?
The canonical SMILES for (2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol is CCCC[C@](C)(CO)Nc1cc(N)nc2cc(-c3cnc(N(CC)CC)nc3)cnc12.
What is the InChIKey of (2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol?
The InChIKey is NLWYVMVGXDCFFA-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H33N7O/c1-5-8-9-23(4,15-31)29-19-11-20(24)28-18-10-16(12-25-21(18)19)17-13-26-22(27-14-17)30(6-2)7-3/h10-14,31H,5-9,15H2,1-4H3,(H3,24,28,29)/t23-/m1/s1.
What are the key properties of (2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol?
(2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol has a molecular weight of 423.57 g/mol, XLogP of 3.87, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol is sourced from PubChem (CID 162680433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).