N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide

C17H22N4O2 — CID 109294858

IUPACN-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nccc(C(=O)Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H22N4O2/c1-4-10-18-17-19-11-9-15(21-17)16(22)20-13-5-7-14(8-6-13)23-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyNDLVCNHBIJRHCS-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.34
Rot. Bonds7

About N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide

N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109294858) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
PubChem CID109294858
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nccc(C(=O)Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H22N4O2/c1-4-10-18-17-19-11-9-15(21-17)16(22)20-13-5-7-14(8-6-13)23-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyNDLVCNHBIJRHCS-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109318997
N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313546
2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109314998
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994
N-(3-chloro-4-methylphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294844
2-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317120
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109295454
2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109297207
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312014
N-(3-methylbutyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109311907
2-(2,4-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109318014
2-(3-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317046

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide (CID 109294858) is N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide is CCCNc1nccc(C(=O)Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is NDLVCNHBIJRHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-10-18-17-19-11-9-15(21-17)16(22)20-13-5-7-14(8-6-13)23-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide?
N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109294858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).