7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol

C14H22ClN5O — CID 142534454

IUPAC7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol
SMILESCCCCC(C)CO.Nc1nc(N)c2ncc(Cl)cc2n1
InChIInChI=1S/C7H6ClN5.C7H16O/c8-3-1-4-5(11-2-3)6(9)13-7(10)12-4;1-3-4-5-7(2)6-8/h1-2H,(H4,9,10,12,13);7-8H,3-6H2,1-2H3
InChIKeyUTIWCQWOBOHCSR-UHFFFAOYSA-N
MW311.82 g/mol
LogP2.65
Rot. Bonds4

About 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol

7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol (PubChem CID 142534454) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol.

Molecular Properties

Compound Name7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol
PubChem CID142534454
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol
SMILESCCCCC(C)CO.Nc1nc(N)c2ncc(Cl)cc2n1
InChIInChI=1S/C7H6ClN5.C7H16O/c8-3-1-4-5(11-2-3)6(9)13-7(10)12-4;1-3-4-5-7(2)6-8/h1-2H,(H4,9,10,12,13);7-8H,3-6H2,1-2H3
InChIKeyUTIWCQWOBOHCSR-UHFFFAOYSA-N
XLogP2.65
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122584957
3-(2-amino-5-chloro-3-pyridinyl)-2-methylpropan-1-ol
CID 64666699
2-methylhexan-1-ol
CID 159157237
5-chloro-3-(1-hydrazinylpentyl)pyridin-2-amine
CID 105245743
(2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585216
2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one
CID 116556739
5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
(2R)-2-methyloctadecan-1-ol
CID 122453872
2-methylhexadecan-1-ol
CID 17218
3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol
CID 175081415
(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
2-methyldodecane-1,8-diol
CID 59660146

Frequently Asked Questions

What is the IUPAC name of 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol?
The IUPAC name of 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol (CID 142534454) is 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol.
What is the SMILES notation for 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol?
The canonical SMILES for 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol is CCCCC(C)CO.Nc1nc(N)c2ncc(Cl)cc2n1.
What is the InChIKey of 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol?
The InChIKey is UTIWCQWOBOHCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5.C7H16O/c8-3-1-4-5(11-2-3)6(9)13-7(10)12-4;1-3-4-5-7(2)6-8/h1-2H,(H4,9,10,12,13);7-8H,3-6H2,1-2H3.
What are the key properties of 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol?
7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol has a molecular weight of 311.82 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol is sourced from PubChem (CID 142534454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).