4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide

C15H20N4O2 — CID 108787804

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide
SMILESCc1cc(C)nc(NCCCC(=O)NCc2ccco2)n1
InChIInChI=1S/C15H20N4O2/c1-11-9-12(2)19-15(18-11)16-7-3-6-14(20)17-10-13-5-4-8-21-13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyIQWSLCFFOPAWCL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.19
Rot. Bonds7

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide (PubChem CID 108787804) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide
PubChem CID108787804
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide
SMILESCc1cc(C)nc(NCCCC(=O)NCc2ccco2)n1
InChIInChI=1S/C15H20N4O2/c1-11-9-12(2)19-15(18-11)16-7-3-6-14(20)17-10-13-5-4-8-21-13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyIQWSLCFFOPAWCL-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide
CID 108787746
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109326812
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112915161
4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide
CID 124510383
2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319469
2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109326830
N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide
CID 109018491
(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]butanoylamino]-2-phenylacetic acid
CID 108808824
N-(furan-2-ylmethyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
CID 121086734

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide (CID 108787804) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide is Cc1cc(C)nc(NCCCC(=O)NCc2ccco2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide?
The InChIKey is IQWSLCFFOPAWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-9-12(2)19-15(18-11)16-7-3-6-14(20)17-10-13-5-4-8-21-13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,17,20)(H,16,18,19).
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide has a molecular weight of 288.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 108787804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).