1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol

C16H17Cl2N3O — CID 133473167

IUPAC1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol
SMILESCC(O)(CNc1cc(Cl)nc(C2CC2)n1)c1cccc(Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c1-16(22,11-3-2-4-12(17)7-11)9-19-14-8-13(18)20-15(21-14)10-5-6-10/h2-4,7-8,10,22H,5-6,9H2,1H3,(H,19,20,21)
InChIKeyAKQWTVVQJIULRV-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.98
Rot. Bonds5

About 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol

1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol (PubChem CID 133473167) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol
PubChem CID133473167
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol
SMILESCC(O)(CNc1cc(Cl)nc(C2CC2)n1)c1cccc(Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c1-16(22,11-3-2-4-12(17)7-11)9-19-14-8-13(18)20-15(21-14)10-5-6-10/h2-4,7-8,10,22H,5-6,9H2,1H3,(H,19,20,21)
InChIKeyAKQWTVVQJIULRV-UHFFFAOYSA-N
XLogP3.98
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol
CID 138019746
2-(3-chlorophenyl)-1-(cyclopentylamino)propan-2-ol
CID 119107466
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 80950737
6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80951605
2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133473010
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 104952861
2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 133473007
N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide
CID 113293276
6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952474
6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 103879876
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol?
The IUPAC name of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol (CID 133473167) is 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol is CC(O)(CNc1cc(Cl)nc(C2CC2)n1)c1cccc(Cl)c1.
What is the InChIKey of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol?
The InChIKey is AKQWTVVQJIULRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-16(22,11-3-2-4-12(17)7-11)9-19-14-8-13(18)20-15(21-14)10-5-6-10/h2-4,7-8,10,22H,5-6,9H2,1H3,(H,19,20,21).
What are the key properties of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol?
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol has a molecular weight of 338.24 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol is sourced from PubChem (CID 133473167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).