N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide

C16H20N4O3 — CID 109338769

IUPACN-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NC(C)C)ncn2)c(OC)c1
InChIInChI=1S/C16H20N4O3/c1-10(2)19-15-8-13(17-9-18-15)16(21)20-12-6-5-11(22-3)7-14(12)23-4/h5-10H,1-4H3,(H,20,21)(H,17,18,19)
InChIKeySTOLOIGSTVEKBD-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.57
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide

N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109338769) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109338769
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NC(C)C)ncn2)c(OC)c1
InChIInChI=1S/C16H20N4O3/c1-10(2)19-15-8-13(17-9-18-15)16(21)20-12-6-5-11(22-3)7-14(12)23-4/h5-10H,1-4H3,(H,20,21)(H,17,18,19)
InChIKeySTOLOIGSTVEKBD-UHFFFAOYSA-N
XLogP2.57
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796
6-(4-chloro-2-methylanilino)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109358426
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109342594
4-N-(2,4-dimethoxyphenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078342
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
6-(4-acetylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109345953
N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357426
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109340698
N-(2,5-dimethoxyphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343225
6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109356552

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 109338769) is N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(NC(C)C)ncn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is STOLOIGSTVEKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(2)19-15-8-13(17-9-18-15)16(21)20-12-6-5-11(22-3)7-14(12)23-4/h5-10H,1-4H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109338769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).