N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide

C15H20N4O2 — CID 109361756

IUPACN-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(NCc2ccco2)nc(C)n1
InChIInChI=1S/C15H20N4O2/c1-3-4-7-16-15(20)13-9-14(19-11(2)18-13)17-10-12-6-5-8-21-12/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyFCJJGFLQXSTYJX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.52
Rot. Bonds7

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

N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109361756) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109361756
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(NCc2ccco2)nc(C)n1
InChIInChI=1S/C15H20N4O2/c1-3-4-7-16-15(20)13-9-14(19-11(2)18-13)17-10-12-6-5-8-21-12/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyFCJJGFLQXSTYJX-UHFFFAOYSA-N
XLogP2.52
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(2-fluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368005
6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109367982
N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367956
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367935
N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109180640
6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109367985
N-(3,4-difluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368072
N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368048
6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109369963
6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368142

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide (CID 109361756) is N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide is CCCCNC(=O)c1cc(NCc2ccco2)nc(C)n1.
What is the InChIKey of N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is FCJJGFLQXSTYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-4-7-16-15(20)13-9-14(19-11(2)18-13)17-10-12-6-5-8-21-12/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).