2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide

C17H22N4O2 — CID 109295056

IUPAC2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C17H22N4O2/c1-4-10-18-16(22)14-9-11-19-17(21-14)20-13-7-5-6-8-15(13)23-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyDAFZEHIIMYNLPD-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.15
Rot. Bonds7

About 2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide

2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109295056) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID109295056
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C17H22N4O2/c1-4-10-18-16(22)14-9-11-19-17(21-14)20-13-7-5-6-8-15(13)23-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyDAFZEHIIMYNLPD-UHFFFAOYSA-N
XLogP3.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109311906
N-(2-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316520
N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313745
N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109315206
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935
2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881861
N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109301340
N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217543
N-(3-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317966
2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 112851428
N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109317983
2-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317703

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide (CID 109295056) is 2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1ccnc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of 2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is DAFZEHIIMYNLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-10-18-16(22)14-9-11-19-17(21-14)20-13-7-5-6-8-15(13)23-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide?
2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109295056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).