6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine

C15H24ClN3 — CID 80940885

IUPAC6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(CC)C2CCCCC2)n1
InChIInChI=1S/C15H24ClN3/c1-3-8-14-17-13(16)11-15(18-14)19(4-2)12-9-6-5-7-10-12/h11-12H,3-10H2,1-2H3
InChIKeyZGPFNQZTYXRZJZ-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.24
Rot. Bonds5

About 6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine

6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine (PubChem CID 80940885) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
PubChem CID80940885
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(CC)C2CCCCC2)n1
InChIInChI=1S/C15H24ClN3/c1-3-8-14-17-13(16)11-15(18-14)19(4-2)12-9-6-5-7-10-12/h11-12H,3-10H2,1-2H3
InChIKeyZGPFNQZTYXRZJZ-UHFFFAOYSA-N
XLogP4.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine (CID 80940885) is 6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(N(CC)C2CCCCC2)n1.
What is the InChIKey of 6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine?
The InChIKey is ZGPFNQZTYXRZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-3-8-14-17-13(16)11-15(18-14)19(4-2)12-9-6-5-7-10-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine?
6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine has a molecular weight of 281.83 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80940885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).