N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide

C21H24N4O2 — CID 112853943

IUPACN-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)CCNc1cc(C(=O)NCc2ccco2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H24N4O2/c1-15(2)10-11-22-19-13-18(21(26)23-14-17-9-6-12-27-17)24-20(25-19)16-7-4-3-5-8-16/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyOGHPLDQGSCFDLQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.12
Rot. Bonds8

About N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide

N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853943) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853943
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)CCNc1cc(C(=O)NCc2ccco2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H24N4O2/c1-15(2)10-11-22-19-13-18(21(26)23-14-17-9-6-12-27-17)24-20(25-19)16-7-4-3-5-8-16/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyOGHPLDQGSCFDLQ-UHFFFAOYSA-N
XLogP4.12
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853104
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601
N-(furan-2-ylmethyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112853936
6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112853891
6-(furan-2-ylmethylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853897
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170122
N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853916
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112853775
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853925
azepan-1-yl-[6-(3-methylbutylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112854359

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide (CID 112853943) is N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide is CC(C)CCNc1cc(C(=O)NCc2ccco2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is OGHPLDQGSCFDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(2)10-11-22-19-13-18(21(26)23-14-17-9-6-12-27-17)24-20(25-19)16-7-4-3-5-8-16/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide?
N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).