N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide

C26H32N4O4 — CID 42670299

IUPACN-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cc(-c2ncc(C(=O)N(C)Cc3ccccc3)c(N(C)C(C)C)n2)cc(OC)c1OC
InChIInChI=1S/C26H32N4O4/c1-17(2)30(4)25-20(26(31)29(3)16-18-11-9-8-10-12-18)15-27-24(28-25)19-13-21(32-5)23(34-7)22(14-19)33-6/h8-15,17H,16H2,1-7H3
InChIKeyDSQBDTYVNJXXHU-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.29
Rot. Bonds9

About N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide

N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 42670299) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID42670299
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cc(-c2ncc(C(=O)N(C)Cc3ccccc3)c(N(C)C(C)C)n2)cc(OC)c1OC
InChIInChI=1S/C26H32N4O4/c1-17(2)30(4)25-20(26(31)29(3)16-18-11-9-8-10-12-18)15-27-24(28-25)19-13-21(32-5)23(34-7)22(14-19)33-6/h8-15,17H,16H2,1-7H3
InChIKeyDSQBDTYVNJXXHU-UHFFFAOYSA-N
XLogP4.29
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 42670152
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095840
2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
CID 52571877
2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095826
methyl (2S)-2-[benzyl-(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 71905565
N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide
CID 42670112
(2S)-N,N-dibenzyl-2-methyl-3-oxo-3-(3,4,5-trimethoxyphenyl)propanamide
CID 986606
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312
(2S)-1-[benzyl-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propan-2-ol
CID 93181629
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide (CID 42670299) is N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide is COc1cc(-c2ncc(C(=O)N(C)Cc3ccccc3)c(N(C)C(C)C)n2)cc(OC)c1OC.
What is the InChIKey of N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is DSQBDTYVNJXXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17(2)30(4)25-20(26(31)29(3)16-18-11-9-8-10-12-18)15-27-24(28-25)19-13-21(32-5)23(34-7)22(14-19)33-6/h8-15,17H,16H2,1-7H3.
What are the key properties of N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42670299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).