(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol

C23H30ClN5O3 — CID 122585284

IUPAC(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2c(C)cc(Cl)nc12
InChIInChI=1S/C23H30ClN5O3/c1-5-6-7-16(13-30)26-22-21-20(14(2)10-19(24)27-21)28-23(29-22)25-12-15-8-9-17(31-3)11-18(15)32-4/h8-11,16,30H,5-7,12-13H2,1-4H3,(H2,25,26,28,29)/t16-/m1/s1
InChIKeyVXPVNQPFPUJOLM-MRXNPFEDSA-N
MW459.98 g/mol
LogP4.58
Rot. Bonds11

About (2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol

(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol (PubChem CID 122585284) has the molecular formula C23H30ClN5O3 and a molecular weight of 459.98 g/mol. Its IUPAC name is (2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
PubChem CID122585284
Molecular FormulaC23H30ClN5O3
Molecular Weight459.98 g/mol
Exact Mass459.20
IUPAC Name(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2c(C)cc(Cl)nc12
InChIInChI=1S/C23H30ClN5O3/c1-5-6-7-16(13-30)26-22-21-20(14(2)10-19(24)27-21)28-23(29-22)25-12-15-8-9-17(31-3)11-18(15)32-4/h8-11,16,30H,5-7,12-13H2,1-4H3,(H2,25,26,28,29)/t16-/m1/s1
InChIKeyVXPVNQPFPUJOLM-MRXNPFEDSA-N
XLogP4.58
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 122585039
(2R)-2-aminohexan-1-ol;(2R)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;4,6-dichloro-8-methylpyrido[3,2-d]pyrimidin-2-amine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetaldehyde
CID 165061679
4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598710
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one
CID 157383740
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide
CID 134364468
(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
methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoate
CID 122585007
N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide
CID 134305651
(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol
CID 122585386
4-(butylamino)-2-[(2,4-dimethoxyphenyl)methylamino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 171084078
2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 155429580
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 154666347

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol?
The IUPAC name of (2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol (CID 122585284) is (2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol.
What is the SMILES notation for (2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol?
The canonical SMILES for (2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol is CCCC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2c(C)cc(Cl)nc12.
What is the InChIKey of (2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol?
The InChIKey is VXPVNQPFPUJOLM-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H30ClN5O3/c1-5-6-7-16(13-30)26-22-21-20(14(2)10-19(24)27-21)28-23(29-22)25-12-15-8-9-17(31-3)11-18(15)32-4/h8-11,16,30H,5-7,12-13H2,1-4H3,(H2,25,26,28,29)/t16-/m1/s1.
What are the key properties of (2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol?
(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol has a molecular weight of 459.98 g/mol, XLogP of 4.58, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 122585284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).