2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

C15H23ClN4 — CID 166460267

IUPAC2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCN(c1cc(N2CCCC2)nc(Cl)n1)C1CCCCC1
InChIInChI=1S/C15H23ClN4/c1-19(12-7-3-2-4-8-12)13-11-14(18-15(16)17-13)20-9-5-6-10-20/h11-12H,2-10H2,1H3
InChIKeyCPIAPESTNIGNOF-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.50
Rot. Bonds3

About 2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 166460267) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID166460267
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCN(c1cc(N2CCCC2)nc(Cl)n1)C1CCCCC1
InChIInChI=1S/C15H23ClN4/c1-19(12-7-3-2-4-8-12)13-11-14(18-15(16)17-13)20-9-5-6-10-20/h11-12H,2-10H2,1H3
InChIKeyCPIAPESTNIGNOF-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 166460267) is 2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is CN(c1cc(N2CCCC2)nc(Cl)n1)C1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is CPIAPESTNIGNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-19(12-7-3-2-4-8-12)13-11-14(18-15(16)17-13)20-9-5-6-10-20/h11-12H,2-10H2,1H3.
What are the key properties of 2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 294.83 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 166460267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).