2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide

C19H26N4O4 — CID 109311828

IUPAC2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(NCCC(C)C)n2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O4/c1-12(2)6-8-20-19-21-9-7-14(23-19)18(24)22-13-10-15(25-3)17(27-5)16(11-13)26-4/h7,9-12H,6,8H2,1-5H3,(H,22,24)(H,20,21,23)
InChIKeyDALVHMGYZKUVCV-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.21
Rot. Bonds9

About 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide

2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109311828) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109311828
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(NCCC(C)C)n2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O4/c1-12(2)6-8-20-19-21-9-7-14(23-19)18(24)22-13-10-15(25-3)17(27-5)16(11-13)26-4/h7,9-12H,6,8H2,1-5H3,(H,22,24)(H,20,21,23)
InChIKeyDALVHMGYZKUVCV-UHFFFAOYSA-N
XLogP3.21
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311780
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 109263606
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311840
N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306256
N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311775
N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311752
N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301799
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311806
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662
N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109296575
2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109323649
2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109311825

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide (CID 109311828) is 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide is COc1cc(NC(=O)c2ccnc(NCCC(C)C)n2)cc(OC)c1OC.
What is the InChIKey of 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is DALVHMGYZKUVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-12(2)6-8-20-19-21-9-7-14(23-19)18(24)22-13-10-15(25-3)17(27-5)16(11-13)26-4/h7,9-12H,6,8H2,1-5H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide?
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).