N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide

C20H22N4O4 — CID 109367956

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCc3ccco3)nc(C)n2)cc1OC
InChIInChI=1S/C20H22N4O4/c1-13-23-16(10-19(24-13)21-12-15-5-4-8-28-15)20(25)22-11-14-6-7-17(26-2)18(9-14)27-3/h4-10H,11-12H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyJBGFPPYNFWMFFY-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.94
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109367956) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109367956
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCc3ccco3)nc(C)n2)cc1OC
InChIInChI=1S/C20H22N4O4/c1-13-23-16(10-19(24-13)21-12-15-5-4-8-28-15)20(25)22-11-14-6-7-17(26-2)18(9-14)27-3/h4-10H,11-12H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyJBGFPPYNFWMFFY-UHFFFAOYSA-N
XLogP2.94
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367930
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367935
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361212
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109364849
2-[(3,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303450
N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109361756
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326799
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109363819
6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109372823
N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367979
6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112853891

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide (CID 109367956) is N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2cc(NCc3ccco3)nc(C)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is JBGFPPYNFWMFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13-23-16(10-19(24-13)21-12-15-5-4-8-28-15)20(25)22-11-14-6-7-17(26-2)18(9-14)27-3/h4-10H,11-12H2,1-3H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109367956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).