1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol

C13H15ClN4O — CID 11185047

IUPAC1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(-c2ccccc2)nc(Cl)c1N
InChIInChI=1S/C13H15ClN4O/c1-8(19)7-16-13-10(15)11(14)17-12(18-13)9-5-3-2-4-6-9/h2-6,8,19H,7,15H2,1H3,(H,16,17,18)
InChIKeyBZFMNJXITCABJX-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.17
Rot. Bonds4

About 1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol

1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol (PubChem CID 11185047) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol
PubChem CID11185047
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(-c2ccccc2)nc(Cl)c1N
InChIInChI=1S/C13H15ClN4O/c1-8(19)7-16-13-10(15)11(14)17-12(18-13)9-5-3-2-4-6-9/h2-6,8,19H,7,15H2,1H3,(H,16,17,18)
InChIKeyBZFMNJXITCABJX-UHFFFAOYSA-N
XLogP2.17
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol
CID 23906351
6-chloro-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpyrimidine-4,5-diamine
CID 89282848
1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol
CID 84977192
6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine
CID 89282935
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 121222906
1-[(5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 11302358
1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol
CID 102750353
1-(7-chloro-5-phenyltriazolo[4,5-d]pyrimidin-3-yl)propan-2-ol
CID 11254778
5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 83870895
3-[[5-chloro-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol
CID 139886556
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
CID 130619296

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol (CID 11185047) is 1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol is CC(O)CNc1nc(-c2ccccc2)nc(Cl)c1N.
What is the InChIKey of 1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is BZFMNJXITCABJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8(19)7-16-13-10(15)11(14)17-12(18-13)9-5-3-2-4-6-9/h2-6,8,19H,7,15H2,1H3,(H,16,17,18).
What are the key properties of 1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol?
1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 278.74 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 11185047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).