N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide

C20H20N4O3 — CID 109346723

IUPACN-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3ccccc3)ncn2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-26-17-9-8-15(10-18(17)27-2)24-19-11-16(22-13-23-19)20(25)21-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyCZPZSGLHGHXOTR-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.17
Rot. Bonds7

About N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide

N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109346723) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109346723
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3ccccc3)ncn2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-26-17-9-8-15(10-18(17)27-2)24-19-11-16(22-13-23-19)20(25)21-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyCZPZSGLHGHXOTR-UHFFFAOYSA-N
XLogP3.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348458
6-(3,4-dimethoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353612
N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109352465
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109346649
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109350430
6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357478
6-(2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349205
N-benzyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109346748

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide (CID 109346723) is N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)NCc3ccccc3)ncn2)cc1OC.
What is the InChIKey of N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is CZPZSGLHGHXOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-9-8-15(10-18(17)27-2)24-19-11-16(22-13-23-19)20(25)21-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide?
N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).