N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine

C12H18ClN3 — CID 102871699

IUPACN-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(CCCl)C2CCC2)nc(C)n1
InChIInChI=1S/C12H18ClN3/c1-9-8-12(15-10(2)14-9)16(7-6-13)11-4-3-5-11/h8,11H,3-7H2,1-2H3
InChIKeyXNDVGPQFPUCTOS-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.69
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine

N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine (PubChem CID 102871699) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine
PubChem CID102871699
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(CCCl)C2CCC2)nc(C)n1
InChIInChI=1S/C12H18ClN3/c1-9-8-12(15-10(2)14-9)16(7-6-13)11-4-3-5-11/h8,11H,3-7H2,1-2H3
InChIKeyXNDVGPQFPUCTOS-UHFFFAOYSA-N
XLogP2.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
CID 54939100
N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine
CID 80668097
N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine
CID 55183880
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine
CID 79112273
N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66214933
2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 102875669
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine
CID 102871414
6-chloro-N-cyclopropyl-N-ethyl-2-methylpyrimidin-4-amine
CID 62482724
N-(2-chloroethyl)-N-cyclopentyl-4-methylpyrimidin-2-amine
CID 63388934
N-(2-chloroethyl)-N-cyclopentyl-5-methylpyridin-2-amine
CID 63388501

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine (CID 102871699) is N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine is Cc1cc(N(CCCl)C2CCC2)nc(C)n1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine?
The InChIKey is XNDVGPQFPUCTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9-8-12(15-10(2)14-9)16(7-6-13)11-4-3-5-11/h8,11H,3-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine?
N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 102871699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).