2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide

C20H17ClFN3O2 — CID 138634129

IUPAC2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc(-c2cccc(F)c2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17ClFN3O2/c1-12(11-26)23-20(27)18-10-17(14-3-2-4-16(22)9-14)24-19(25-18)13-5-7-15(21)8-6-13/h2-10,12,26H,11H2,1H3,(H,23,27)/t12-/m0/s1
InChIKeyGCNOSXAZJKEVJF-LBPRGKRZSA-N
MW385.83 g/mol
LogP3.71
Rot. Bonds5

About 2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide

2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide (PubChem CID 138634129) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
PubChem CID138634129
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc(-c2cccc(F)c2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17ClFN3O2/c1-12(11-26)23-20(27)18-10-17(14-3-2-4-16(22)9-14)24-19(25-18)13-5-7-15(21)8-6-13/h2-10,12,26H,11H2,1H3,(H,23,27)/t12-/m0/s1
InChIKeyGCNOSXAZJKEVJF-LBPRGKRZSA-N
XLogP3.71
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide (CID 138634129) is 2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide is C[C@@H](CO)NC(=O)c1cc(-c2cccc(F)c2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is GCNOSXAZJKEVJF-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-12(11-26)23-20(27)18-10-17(14-3-2-4-16(22)9-14)24-19(25-18)13-5-7-15(21)8-6-13/h2-10,12,26H,11H2,1H3,(H,23,27)/t12-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 138634129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).