2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol

C15H19ClN4O — CID 133473147

IUPAC2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol
SMILESCN(C)c1ccnc(NCC(C)(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H19ClN4O/c1-15(21,11-5-4-6-12(16)9-11)10-18-14-17-8-7-13(19-14)20(2)3/h4-9,21H,10H2,1-3H3,(H,17,18,19)
InChIKeyNDLOUVOTWYMUTL-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.52
Rot. Bonds5

About 2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol

2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol (PubChem CID 133473147) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol
PubChem CID133473147
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol
SMILESCN(C)c1ccnc(NCC(C)(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H19ClN4O/c1-15(21,11-5-4-6-12(16)9-11)10-18-14-17-8-7-13(19-14)20(2)3/h4-9,21H,10H2,1-3H3,(H,17,18,19)
InChIKeyNDLOUVOTWYMUTL-UHFFFAOYSA-N
XLogP2.52
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133473010
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 133473007
2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 133472993
2-(3-chlorophenyl)-1-(cyclopentylamino)propan-2-ol
CID 119107466
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 133472972
2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 133473051
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol
CID 133473167
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
2-(3-chlorophenyl)-1-[(4-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133473068
2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112901442

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol (CID 133473147) is 2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol is CN(C)c1ccnc(NCC(C)(O)c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol?
The InChIKey is NDLOUVOTWYMUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-15(21,11-5-4-6-12(16)9-11)10-18-14-17-8-7-13(19-14)20(2)3/h4-9,21H,10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol?
2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol has a molecular weight of 306.80 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 133473147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).