N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide

C17H22N4O3 — CID 109318998

IUPACN-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nc(C)cc(C(=O)Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C17H22N4O3/c1-5-8-18-17-19-11(2)9-14(21-17)16(22)20-13-10-12(23-3)6-7-15(13)24-4/h6-7,9-10H,5,8H2,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyKRMKUKHUSDNGTM-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.88
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109318998) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
PubChem CID109318998
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nc(C)cc(C(=O)Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C17H22N4O3/c1-5-8-18-17-19-11(2)9-14(21-17)16(22)20-13-10-12(23-3)6-7-15(13)24-4/h6-7,9-10H,5,8H2,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyKRMKUKHUSDNGTM-UHFFFAOYSA-N
XLogP2.88
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110860509
N-(2,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109324958
N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333139
N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246802
2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320598
N-(2,5-dimethoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179374
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337749
2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337046
N-(2,5-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318959
N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327859
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337413

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide (CID 109318998) is N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide is CCCNc1nc(C)cc(C(=O)Nc2cc(OC)ccc2OC)n1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is KRMKUKHUSDNGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-5-8-18-17-19-11(2)9-14(21-17)16(22)20-13-10-12(23-3)6-7-15(13)24-4/h6-7,9-10H,5,8H2,1-4H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).