N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

C20H22N4O2 — CID 109368150

IUPACN-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C(C)C)cc2)cc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C20H22N4O2/c1-13(2)15-6-8-16(9-7-15)24-19-11-18(22-14(3)23-19)20(25)21-12-17-5-4-10-26-17/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyCBIIMGHOHZMISE-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.18
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109368150) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109368150
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C(C)C)cc2)cc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C20H22N4O2/c1-13(2)15-6-8-16(9-7-15)24-19-11-18(22-14(3)23-19)20(25)21-12-17-5-4-10-26-17/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyCBIIMGHOHZMISE-UHFFFAOYSA-N
XLogP4.18
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368191
6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368142
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368165
2-methyl-N-[(2-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109368662
2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109369078
N-(furan-2-ylmethyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109368133
6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368156
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707
N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367930
2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326998
2-(4-ethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326989
N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109346404

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109368150) is N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is Cc1nc(Nc2ccc(C(C)C)cc2)cc(C(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is CBIIMGHOHZMISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(2)15-6-8-16(9-7-15)24-19-11-18(22-14(3)23-19)20(25)21-12-17-5-4-10-26-17/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109368150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).