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

C7H10ClN3O — CID 94405682

IUPAC(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNc1ccnc(Cl)n1
InChIInChI=1S/C7H10ClN3O/c1-5(12)4-10-6-2-3-9-7(8)11-6/h2-3,5,12H,4H2,1H3,(H,9,10,11)/t5-/m1/s1
InChIKeyPCNVXAJFLQTGQT-RXMQYKEDSA-N
MW187.63 g/mol
LogP0.92
Rot. Bonds3

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

(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol (PubChem CID 94405682) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is (2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
PubChem CID94405682
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNc1ccnc(Cl)n1
InChIInChI=1S/C7H10ClN3O/c1-5(12)4-10-6-2-3-9-7(8)11-6/h2-3,5,12H,4H2,1H3,(H,9,10,11)/t5-/m1/s1
InChIKeyPCNVXAJFLQTGQT-RXMQYKEDSA-N
XLogP0.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 115695381
1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane
CID 145372300
(1S)-2-[(2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 87737078
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 130162610
1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol
CID 82237449
(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
CID 90456586
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
2-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
CID 62342670
2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol
CID 87727171
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol (CID 94405682) is (2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol is C[C@@H](O)CNc1ccnc(Cl)n1.
What is the InChIKey of (2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is PCNVXAJFLQTGQT-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-5(12)4-10-6-2-3-9-7(8)11-6/h2-3,5,12H,4H2,1H3,(H,9,10,11)/t5-/m1/s1.
What are the key properties of (2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol?
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 187.63 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 94405682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).