N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine

C13H20ClN3O — CID 102871414

IUPACN-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(N(CCCCl)C2CCC2)n1
InChIInChI=1S/C13H20ClN3O/c1-10-9-12(18-2)16-13(15-10)17(8-4-7-14)11-5-3-6-11/h9,11H,3-8H2,1-2H3
InChIKeyDCBNIGTZXCGGAV-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.78
Rot. Bonds6

About N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine

N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine (PubChem CID 102871414) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine
PubChem CID102871414
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(N(CCCCl)C2CCC2)n1
InChIInChI=1S/C13H20ClN3O/c1-10-9-12(18-2)16-13(15-10)17(8-4-7-14)11-5-3-6-11/h9,11H,3-8H2,1-2H3
InChIKeyDCBNIGTZXCGGAV-UHFFFAOYSA-N
XLogP2.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-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

N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine
CID 55183880
N-(2-chloroethyl)-N-cyclopentyl-4-methoxypyrimidin-2-amine
CID 63388459
N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine
CID 102871504
N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine
CID 112634666
N'-cyclobutyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 102874839
N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine
CID 102871366
N-cyclopropyl-4-methoxy-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106640968
N-(2-chloroethyl)-N-cyclopentyl-4-methylpyrimidin-2-amine
CID 63388934
N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine
CID 102871463
N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine
CID 102871699
N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine
CID 102871477
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 112634781

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine (CID 102871414) is N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine is COc1cc(C)nc(N(CCCCl)C2CCC2)n1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine?
The InChIKey is DCBNIGTZXCGGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-10-9-12(18-2)16-13(15-10)17(8-4-7-14)11-5-3-6-11/h9,11H,3-8H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine?
N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 102871414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).