N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C20H19ClN4O2 — CID 109358189

IUPACN-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C20H19ClN4O2/c1-13(2)27-18-9-4-3-8-16(18)25-19-11-17(22-12-23-19)20(26)24-15-7-5-6-14(21)10-15/h3-13H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyUJKOGNBZFQAXOK-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.91
Rot. Bonds6

About N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109358189) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109358189
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C20H19ClN4O2/c1-13(2)27-18-9-4-3-8-16(18)25-19-11-17(22-12-23-19)20(26)24-15-7-5-6-14(21)10-15/h3-13H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyUJKOGNBZFQAXOK-UHFFFAOYSA-N
XLogP4.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358274
N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359156
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359157
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358715
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109357289
N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340306
N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353448
N-(3-phenylpropyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353608
methyl 3-[[6-(2-ethoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358989

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109358189) is N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CC(C)Oc1ccccc1Nc1cc(C(=O)Nc2cccc(Cl)c2)ncn1.
What is the InChIKey of N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is UJKOGNBZFQAXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13(2)27-18-9-4-3-8-16(18)25-19-11-17(22-12-23-19)20(26)24-15-7-5-6-14(21)10-15/h3-13H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).