2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide

C20H22N4O2 — CID 109255128

IUPAC2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cnc(NCc2ccco2)nc1
InChIInChI=1S/C20H22N4O2/c1-13(2)17-8-4-6-14(3)18(17)24-19(25)15-10-21-20(22-11-15)23-12-16-7-5-9-26-16/h4-11,13H,12H2,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyFMXNMJZQICDTJQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.37
Rot. Bonds6

About 2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide

2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109255128) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109255128
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cnc(NCc2ccco2)nc1
InChIInChI=1S/C20H22N4O2/c1-13(2)17-8-4-6-14(3)18(17)24-19(25)15-10-21-20(22-11-15)23-12-16-7-5-9-26-16/h4-11,13H,12H2,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyFMXNMJZQICDTJQ-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247171
N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256544
2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109260147
2-(furan-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 110484715
2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268166
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255161
N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255149
3-(furan-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 18084161
N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247161
N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255203

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide (CID 109255128) is 2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cnc(NCc2ccco2)nc1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is FMXNMJZQICDTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(2)17-8-4-6-14(3)18(17)24-19(25)15-10-21-20(22-11-15)23-12-16-7-5-9-26-16/h4-11,13H,12H2,1-3H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide?
2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).