6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine

C14H22ClN3 — CID 55229112

IUPAC6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCCC2CCCCC2)n1
InChIInChI=1S/C14H22ClN3/c1-10-13(15)17-11(2)18-14(10)16-9-8-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyHJPQXKMFSNVTRA-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.13
Rot. Bonds4

About 6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine

6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 55229112) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID55229112
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCCC2CCCCC2)n1
InChIInChI=1S/C14H22ClN3/c1-10-13(15)17-11(2)18-14(10)16-9-8-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyHJPQXKMFSNVTRA-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine (CID 55229112) is 6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(NCCC2CCCCC2)n1.
What is the InChIKey of 6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is HJPQXKMFSNVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-10-13(15)17-11(2)18-14(10)16-9-8-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 267.80 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyclohexylethyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 55229112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).