4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide

C10H16N4O2 — CID 112636843

IUPAC4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
SMILESCOc1cc(C)nc(NCCCC(N)=O)n1
InChIInChI=1S/C10H16N4O2/c1-7-6-9(16-2)14-10(13-7)12-5-3-4-8(11)15/h6H,3-5H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyKCBAIAPMNQGDTO-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.47
Rot. Bonds6

About 4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide

4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide (PubChem CID 112636843) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
PubChem CID112636843
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
SMILESCOc1cc(C)nc(NCCCC(N)=O)n1
InChIInChI=1S/C10H16N4O2/c1-7-6-9(16-2)14-10(13-7)12-5-3-4-8(11)15/h6H,3-5H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyKCBAIAPMNQGDTO-UHFFFAOYSA-N
XLogP0.47
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]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

3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
CID 112636850
7-[(4-methoxy-6-methylpyrimidin-2-yl)amino]heptanoic acid
CID 112634346
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112691011
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112634492
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
N-(4-methoxy-6-methylpyrimidin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112691667
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)amino]propanamide
CID 107546644
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide?
The IUPAC name of 4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide (CID 112636843) is 4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide.
What is the SMILES notation for 4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide?
The canonical SMILES for 4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide is COc1cc(C)nc(NCCCC(N)=O)n1.
What is the InChIKey of 4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide?
The InChIKey is KCBAIAPMNQGDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-6-9(16-2)14-10(13-7)12-5-3-4-8(11)15/h6H,3-5H2,1-2H3,(H2,11,15)(H,12,13,14).
What are the key properties of 4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide?
4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide has a molecular weight of 224.26 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide is sourced from PubChem (CID 112636843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).