5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

C18H23ClN4 — CID 44591349

IUPAC5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCCC2CCCCC2)c1Cl
InChIInChI=1S/C18H23ClN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h5-6,9,11,14H,2-4,7-8,10,12H2,1H3,(H,21,22,23)
InChIKeyZDJSDCUZYDCRRZ-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.88
Rot. Bonds5

About 5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 44591349) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID44591349
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCCC2CCCCC2)c1Cl
InChIInChI=1S/C18H23ClN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h5-6,9,11,14H,2-4,7-8,10,12H2,1H3,(H,21,22,23)
InChIKeyZDJSDCUZYDCRRZ-UHFFFAOYSA-N
XLogP4.88
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (CID 44591349) is 5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NCCC2CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is ZDJSDCUZYDCRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h5-6,9,11,14H,2-4,7-8,10,12H2,1H3,(H,21,22,23).
What are the key properties of 5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 330.86 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 44591349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).