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

C13H20ClN3 — CID 63729418

IUPAC6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCC2CCCCC2)n1
InChIInChI=1S/C13H20ClN3/c1-9-12(14)16-10(2)17-13(9)15-8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJKVZRVHZBNYYCI-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.74
Rot. Bonds3

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

6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 63729418) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID63729418
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCC2CCCCC2)n1
InChIInChI=1S/C13H20ClN3/c1-9-12(14)16-10(2)17-13(9)15-8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJKVZRVHZBNYYCI-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine (CID 63729418) is 6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(NCC2CCCCC2)n1.
What is the InChIKey of 6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is JKVZRVHZBNYYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9-12(14)16-10(2)17-13(9)15-8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63729418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).