N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine

C11H18ClN3O — CID 66331918

IUPACN-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NC(CC)CCl)nc(C)n1
InChIInChI=1S/C11H18ClN3O/c1-4-9(7-12)15-10-6-11(16-5-2)14-8(3)13-10/h6,9H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyNJXYDKFTYTYSJW-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.61
Rot. Bonds6

About N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine

N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine (PubChem CID 66331918) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine
PubChem CID66331918
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NC(CC)CCl)nc(C)n1
InChIInChI=1S/C11H18ClN3O/c1-4-9(7-12)15-10-6-11(16-5-2)14-8(3)13-10/h6,9H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyNJXYDKFTYTYSJW-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine 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

6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine
CID 106026606
N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine
CID 106181967
3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 106154692
6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282952
6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 66325292
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66326521
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 66331276
6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 66326077
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350851
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 66325658
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine (CID 66331918) is N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine is CCOc1cc(NC(CC)CCl)nc(C)n1.
What is the InChIKey of N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine?
The InChIKey is NJXYDKFTYTYSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-9(7-12)15-10-6-11(16-5-2)14-8(3)13-10/h6,9H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine?
N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine has a molecular weight of 243.74 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66331918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).