2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide

C16H18N4O3 — CID 109295653

IUPAC2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(NC3CC3)n2)c1
InChIInChI=1S/C16H18N4O3/c1-22-11-5-6-14(23-2)13(9-11)19-15(21)12-7-8-17-16(20-12)18-10-3-4-10/h5-10H,3-4H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyPUQDXXJRUXFHBK-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.32
Rot. Bonds6

About 2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide

2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109295653) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109295653
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(NC3CC3)n2)c1
InChIInChI=1S/C16H18N4O3/c1-22-11-5-6-14(23-2)13(9-11)19-15(21)12-7-8-17-16(20-12)18-10-3-4-10/h5-10H,3-4H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyPUQDXXJRUXFHBK-UHFFFAOYSA-N
XLogP2.32
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109295850
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315277
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304802
N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316103
6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109112205
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928
2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
CID 109295590
2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109175088
2-(2,5-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315480

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide (CID 109295653) is 2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2ccnc(NC3CC3)n2)c1.
What is the InChIKey of 2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is PUQDXXJRUXFHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-22-11-5-6-14(23-2)13(9-11)19-15(21)12-7-8-17-16(20-12)18-10-3-4-10/h5-10H,3-4H2,1-2H3,(H,19,21)(H,17,18,20).
What are the key properties of 2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide?
2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109295653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).