1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

C15H18ClN3OS — CID 106248450

IUPAC1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18ClN3OS/c1-15(20,10-21-2)9-17-13-8-12(16)18-14(19-13)11-6-4-3-5-7-11/h3-8,20H,9-10H2,1-2H3,(H,17,18,19)
InChIKeyMOGMFETWSZJADQ-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.32
Rot. Bonds6

About 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106248450) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106248450
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18ClN3OS/c1-15(20,10-21-2)9-17-13-8-12(16)18-14(19-13)11-6-4-3-5-7-11/h3-8,20H,9-10H2,1-2H3,(H,17,18,19)
InChIKeyMOGMFETWSZJADQ-UHFFFAOYSA-N
XLogP3.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 106248046
6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 114943692
1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 107257871
1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246053
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854334
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 115914664
2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757208
6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine
CID 115914756
4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol
CID 115914889
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248871
6-chloro-N-pent-4-ynyl-2-phenylpyrimidin-4-amine
CID 106223074

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106248450) is 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNc1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is MOGMFETWSZJADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-15(20,10-21-2)9-17-13-8-12(16)18-14(19-13)11-6-4-3-5-7-11/h3-8,20H,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 323.85 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106248450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).