6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine

C13H20ClN3 — CID 63728973

IUPAC6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine
SMILESCCC1CCC(Nc2ncnc(Cl)c2C)CC1
InChIInChI=1S/C13H20ClN3/c1-3-10-4-6-11(7-5-10)17-13-9(2)12(14)15-8-16-13/h8,10-11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyPEXMPPKFZFAMQW-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.82
Rot. Bonds3

About 6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine

6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine (PubChem CID 63728973) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine
PubChem CID63728973
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine
SMILESCCC1CCC(Nc2ncnc(Cl)c2C)CC1
InChIInChI=1S/C13H20ClN3/c1-3-10-4-6-11(7-5-10)17-13-9(2)12(14)15-8-16-13/h8,10-11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyPEXMPPKFZFAMQW-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine (CID 63728973) is 6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine is CCC1CCC(Nc2ncnc(Cl)c2C)CC1.
What is the InChIKey of 6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine?
The InChIKey is PEXMPPKFZFAMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-3-10-4-6-11(7-5-10)17-13-9(2)12(14)15-8-16-13/h8,10-11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine?
6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63728973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).