N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide

C14H18N4O2 — CID 109248063

IUPACN-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(NCc2ccco2)nc1
InChIInChI=1S/C14H18N4O2/c1-2-3-6-15-13(19)11-8-16-14(17-9-11)18-10-12-5-4-7-20-12/h4-5,7-9H,2-3,6,10H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyCSCSBPCIDGEOKW-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.21
Rot. Bonds7

About N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide

N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109248063) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109248063
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(NCc2ccco2)nc1
InChIInChI=1S/C14H18N4O2/c1-2-3-6-15-13(19)11-8-16-14(17-9-11)18-10-12-5-4-7-20-12/h4-5,7-9H,2-3,6,10H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyCSCSBPCIDGEOKW-UHFFFAOYSA-N
XLogP2.21
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.21
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-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109180640
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109253483
N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255062
2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109255066
N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247083
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251021
N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 54832198
N-[2-(furan-2-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74233042
N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255161
N-(2-ethoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255149
N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109248053

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109248063) is N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide is CCCCNC(=O)c1cnc(NCc2ccco2)nc1.
What is the InChIKey of N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is CSCSBPCIDGEOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-3-6-15-13(19)11-8-16-14(17-9-11)18-10-12-5-4-7-20-12/h4-5,7-9H,2-3,6,10H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).