(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol

C37H52N10O4 — CID 155796718

IUPAC(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol
SMILESCC(C)CC[C@H](CO)Nc1nc(N)nc2cccnc12.COc1ccc(CNc2nc(N[C@@H](CO)CCC(C)C)c3ncccc3n2)c(OC)c1
InChIInChI=1S/C23H31N5O3.C14H21N5O/c1-15(2)7-9-17(14-29)26-22-21-19(6-5-11-24-21)27-23(28-22)25-13-16-8-10-18(30-3)12-20(16)31-4;1-9(2)5-6-10(8-20)17-13-12-11(4-3-7-16-12)18-14(15)19-13/h5-6,8,10-12,15,17,29H,7,9,13-14H2,1-4H3,(H2,25,26,27,28);3-4,7,9-10,20H,5-6,8H2,1-2H3,(H3,15,17,18,19)/t17-;10-/m11/s1
InChIKeyPODOZPCYEKJDRR-WZLFHJTDSA-N
MW700.89 g/mol
LogP5.68
Rot. Bonds17

About (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol

(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol (PubChem CID 155796718) has the molecular formula C37H52N10O4 and a molecular weight of 700.89 g/mol. Its IUPAC name is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol
PubChem CID155796718
Molecular FormulaC37H52N10O4
Molecular Weight700.89 g/mol
Exact Mass700.42
IUPAC Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol
SMILESCC(C)CC[C@H](CO)Nc1nc(N)nc2cccnc12.COc1ccc(CNc2nc(N[C@@H](CO)CCC(C)C)c3ncccc3n2)c(OC)c1
InChIInChI=1S/C23H31N5O3.C14H21N5O/c1-15(2)7-9-17(14-29)26-22-21-19(6-5-11-24-21)27-23(28-22)25-13-16-8-10-18(30-3)12-20(16)31-4;1-9(2)5-6-10(8-20)17-13-12-11(4-3-7-16-12)18-14(15)19-13/h5-6,8,10-12,15,17,29H,7,9,13-14H2,1-4H3,(H2,25,26,27,28);3-4,7,9-10,20H,5-6,8H2,1-2H3,(H3,15,17,18,19)/t17-;10-/m11/s1
InChIKeyPODOZPCYEKJDRR-WZLFHJTDSA-N
XLogP5.68
TPSA198.37 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms51
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 55.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol with MolForge

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Related Compounds

4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598710
methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoate
CID 122585007
(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 122585039
(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol
CID 122585386
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol
CID 122585192
bis((2R,3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol);(2R,3R)-3-amino-1,1,1-trifluoroheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol;ethanol;oxolane;(2R,3R)-1,1,1-trifluoro-3-methylheptan-2-ol
CID 167649649
4-N-(3-bromo-2-methoxyphenyl)-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 178019484
(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 122585284
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 158486047
lithium;3-aminoheptan-2-ol;(2S)-2-aminohexan-1-ol;3-[(2-aminoquinazolin-4-yl)amino]heptan-2-ol;carbanide;2,4-dichloropyrido[3,2-d]pyrimidine;3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-ol;ethanol;3-methylheptan-2-ol;2-methylhexanal;(2S)-2-methylhexan-1-ol
CID 159190091
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide
CID 134364468
tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-4-methyloctanoate
CID 163945113

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol?
The IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol (CID 155796718) is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol.
What is the SMILES notation for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol?
The canonical SMILES for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol is CC(C)CC[C@H](CO)Nc1nc(N)nc2cccnc12.COc1ccc(CNc2nc(N[C@@H](CO)CCC(C)C)c3ncccc3n2)c(OC)c1.
What is the InChIKey of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol?
The InChIKey is PODOZPCYEKJDRR-WZLFHJTDSA-N. The full InChI is InChI=1S/C23H31N5O3.C14H21N5O/c1-15(2)7-9-17(14-29)26-22-21-19(6-5-11-24-21)27-23(28-22)25-13-16-8-10-18(30-3)12-20(16)31-4;1-9(2)5-6-10(8-20)17-13-12-11(4-3-7-16-12)18-14(15)19-13/h5-6,8,10-12,15,17,29H,7,9,13-14H2,1-4H3,(H2,25,26,27,28);3-4,7,9-10,20H,5-6,8H2,1-2H3,(H3,15,17,18,19)/t17-;10-/m11/s1.
What are the key properties of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol?
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol has a molecular weight of 700.89 g/mol, XLogP of 5.68, 17 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol is sourced from PubChem (CID 155796718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).