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

C19H26N4O4 — CID 109263606

IUPAC2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(NCCC(C)C)nc2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O4/c1-12(2)6-7-20-19-21-10-13(11-22-19)18(24)23-14-8-15(25-3)17(27-5)16(9-14)26-4/h8-12H,6-7H2,1-5H3,(H,23,24)(H,20,21,22)
InChIKeyGTNQKZSZCQMJJE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.21
Rot. Bonds9

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

2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109263606) 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-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109263606
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(NCCC(C)C)nc2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O4/c1-12(2)6-7-20-19-21-10-13(11-22-19)18(24)23-14-8-15(25-3)17(27-5)16(9-14)26-4/h8-12H,6-7H2,1-5H3,(H,23,24)(H,20,21,22)
InChIKeyGTNQKZSZCQMJJE-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

2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109311828
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 109248020
6-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109151861
3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044532
N-(3,4-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248760
N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109263536
2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109263592
1-(3-methylbutyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 51712129
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747
2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263593
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662
6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109152022

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide (CID 109263606) is 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide is COc1cc(NC(=O)c2cnc(NCCC(C)C)nc2)cc(OC)c1OC.
What is the InChIKey of 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is GTNQKZSZCQMJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-12(2)6-7-20-19-21-10-13(11-22-19)18(24)23-14-8-15(25-3)17(27-5)16(9-14)26-4/h8-12H,6-7H2,1-5H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-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-5-carboxamide is sourced from PubChem (CID 109263606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).