N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide

C17H15BrN4O2 — CID 109368048

IUPACN-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccco2)cc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C17H15BrN4O2/c1-11-20-15(17(23)22-13-5-2-4-12(18)8-13)9-16(21-11)19-10-14-6-3-7-24-14/h2-9H,10H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyPUYYVUOLZSWNSD-UHFFFAOYSA-N
MW387.24 g/mol
LogP4.00
Rot. Bonds5

About N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide

N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109368048) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109368048
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC NameN-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccco2)cc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C17H15BrN4O2/c1-11-20-15(17(23)22-13-5-2-4-12(18)8-13)9-16(21-11)19-10-14-6-3-7-24-14/h2-9H,10H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyPUYYVUOLZSWNSD-UHFFFAOYSA-N
XLogP4.00
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368072
6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109367982
N-(2-fluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368005
N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365130
2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109326828
N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109361756
N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112848016
N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367979
N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367930
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853925
N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853916

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide (CID 109368048) is N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide is Cc1nc(NCc2ccco2)cc(C(=O)Nc2cccc(Br)c2)n1.
What is the InChIKey of N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is PUYYVUOLZSWNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-11-20-15(17(23)22-13-5-2-4-12(18)8-13)9-16(21-11)19-10-14-6-3-7-24-14/h2-9H,10H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 387.24 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).