(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol

C22H29N5O3 — CID 122585039

IUPAC(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2ccc(C)nc12
InChIInChI=1S/C22H29N5O3/c1-5-6-16(13-28)25-21-20-18(10-7-14(2)24-20)26-22(27-21)23-12-15-8-9-17(29-3)11-19(15)30-4/h7-11,16,28H,5-6,12-13H2,1-4H3,(H2,23,25,26,27)/t16-/m1/s1
InChIKeyUSMPYUQBNTWFGH-MRXNPFEDSA-N
MW411.51 g/mol
LogP3.54
Rot. Bonds10

About (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol

(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 122585039) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID122585039
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2ccc(C)nc12
InChIInChI=1S/C22H29N5O3/c1-5-6-16(13-28)25-21-20-18(10-7-14(2)24-20)26-22(27-21)23-12-15-8-9-17(29-3)11-19(15)30-4/h7-11,16,28H,5-6,12-13H2,1-4H3,(H2,23,25,26,27)/t16-/m1/s1
InChIKeyUSMPYUQBNTWFGH-MRXNPFEDSA-N
XLogP3.54
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol with MolForge

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Related Compounds

(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 122585284
(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
4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598710
2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585046
methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoate
CID 122585007
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide
CID 134364468
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one
CID 157383740
(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol
CID 122585386
(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585335
N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide
CID 134305651
(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine
CID 159208958
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol (CID 122585039) is (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol is CCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2ccc(C)nc12.
What is the InChIKey of (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is USMPYUQBNTWFGH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-5-6-16(13-28)25-21-20-18(10-7-14(2)24-20)26-22(27-21)23-12-15-8-9-17(29-3)11-19(15)30-4/h7-11,16,28H,5-6,12-13H2,1-4H3,(H2,23,25,26,27)/t16-/m1/s1.
What are the key properties of (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?
(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 411.51 g/mol, XLogP of 3.54, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 122585039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).