2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol

C13H14ClN3O — CID 133472200

IUPAC2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
SMILESCC(O)(CNc1ncccn1)c1ccccc1Cl
InChIInChI=1S/C13H14ClN3O/c1-13(18,10-5-2-3-6-11(10)14)9-17-12-15-7-4-8-16-12/h2-8,18H,9H2,1H3,(H,15,16,17)
InChIKeyRTQWHCMMOGIQTE-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.45
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol

2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol (PubChem CID 133472200) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
PubChem CID133472200
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
SMILESCC(O)(CNc1ncccn1)c1ccccc1Cl
InChIInChI=1S/C13H14ClN3O/c1-13(18,10-5-2-3-6-11(10)14)9-17-12-15-7-4-8-16-12/h2-8,18H,9H2,1H3,(H,15,16,17)
InChIKeyRTQWHCMMOGIQTE-UHFFFAOYSA-N
XLogP2.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
1-[(4-aminoquinazolin-2-yl)amino]-2-(2-chlorophenyl)propan-2-ol
CID 133472174
1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol
CID 133472194
2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133472167
N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 75508216
2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol
CID 120972167
4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride
CID 140625468
2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133472163
N-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-2-pyridin-3-ylacetamide
CID 99701809
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide
CID 75523447
2-(2-chlorophenyl)-4-methylpentan-2-ol
CID 43810129
2-(2-chlorophenyl)-1-phenylpropan-2-ol
CID 43810130

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol?
The IUPAC name of 2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol (CID 133472200) is 2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol?
The canonical SMILES for 2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol is CC(O)(CNc1ncccn1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol?
The InChIKey is RTQWHCMMOGIQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-13(18,10-5-2-3-6-11(10)14)9-17-12-15-7-4-8-16-12/h2-8,18H,9H2,1H3,(H,15,16,17).
What are the key properties of 2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol?
2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol has a molecular weight of 263.73 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol is sourced from PubChem (CID 133472200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).