1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol

C9H14ClN3O — CID 115695381

IUPAC1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1ccnc(Cl)n1
InChIInChI=1S/C9H14ClN3O/c1-2-3-7(14)6-12-8-4-5-11-9(10)13-8/h4-5,7,14H,2-3,6H2,1H3,(H,11,12,13)
InChIKeyURSBUALYIPLDIN-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.70
Rot. Bonds5

About 1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol

1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 115695381) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol
PubChem CID115695381
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1ccnc(Cl)n1
InChIInChI=1S/C9H14ClN3O/c1-2-3-7(14)6-12-8-4-5-11-9(10)13-8/h4-5,7,14H,2-3,6H2,1H3,(H,11,12,13)
InChIKeyURSBUALYIPLDIN-UHFFFAOYSA-N
XLogP1.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane
CID 145372300
(1S)-2-[(2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 87737078
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 130162610
2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol
CID 87727171
1-[(5-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 104696792
N-but-2-ynyl-2-chloropyrimidin-4-amine
CID 103918065
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102716204
4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159619
2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 62341681
2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726838

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol (CID 115695381) is 1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol is CCCC(O)CNc1ccnc(Cl)n1.
What is the InChIKey of 1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is URSBUALYIPLDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-2-3-7(14)6-12-8-4-5-11-9(10)13-8/h4-5,7,14H,2-3,6H2,1H3,(H,11,12,13).
What are the key properties of 1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol?
1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 215.68 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 115695381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).