N-cyclohexyl-5,6-dimethylpyrimidin-4-amine

C12H19N3 — CID 141374950

IUPACN-cyclohexyl-5,6-dimethylpyrimidin-4-amine
SMILESCc1ncnc(NC2CCCCC2)c1C
InChIInChI=1S/C12H19N3/c1-9-10(2)13-8-14-12(9)15-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyIHRVZUISBOEQMV-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.84
Rot. Bonds2

About N-cyclohexyl-5,6-dimethylpyrimidin-4-amine

N-cyclohexyl-5,6-dimethylpyrimidin-4-amine (PubChem CID 141374950) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-cyclohexyl-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5,6-dimethylpyrimidin-4-amine
PubChem CID141374950
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-cyclohexyl-5,6-dimethylpyrimidin-4-amine
SMILESCc1ncnc(NC2CCCCC2)c1C
InChIInChI=1S/C12H19N3/c1-9-10(2)13-8-14-12(9)15-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyIHRVZUISBOEQMV-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-5,6-dimethylpyrimidin-4-amine (CID 141374950) is N-cyclohexyl-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-5,6-dimethylpyrimidin-4-amine is Cc1ncnc(NC2CCCCC2)c1C.
What is the InChIKey of N-cyclohexyl-5,6-dimethylpyrimidin-4-amine?
The InChIKey is IHRVZUISBOEQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-10(2)13-8-14-12(9)15-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-cyclohexyl-5,6-dimethylpyrimidin-4-amine?
N-cyclohexyl-5,6-dimethylpyrimidin-4-amine has a molecular weight of 205.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 141374950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).