6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine

C12H16ClN3 — CID 10236162

IUPAC6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CCC2)nc1NC1CC1
InChIInChI=1S/C12H16ClN3/c1-7-10(13)15-12(8-3-2-4-8)16-11(7)14-9-5-6-9/h8-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyJYECROVGJOUTMM-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.28
Rot. Bonds3

About 6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine

6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 10236162) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID10236162
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CCC2)nc1NC1CC1
InChIInChI=1S/C12H16ClN3/c1-7-10(13)15-12(8-3-2-4-8)16-11(7)14-9-5-6-9/h8-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyJYECROVGJOUTMM-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine (CID 10236162) is 6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C2CCC2)nc1NC1CC1.
What is the InChIKey of 6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is JYECROVGJOUTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-7-10(13)15-12(8-3-2-4-8)16-11(7)14-9-5-6-9/h8-9H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine?
6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 237.73 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclobutyl-N-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 10236162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).