N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine

C13H21N3 — CID 134172427

IUPACN-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NC2CCCCC2)n1
InChIInChI=1S/C13H21N3/c1-9-10(2)14-11(3)15-13(9)16-12-7-5-4-6-8-12/h12H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyZWQGJARUZXAFLT-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.15
Rot. Bonds2

About N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine

N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine (PubChem CID 134172427) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine
PubChem CID134172427
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NC2CCCCC2)n1
InChIInChI=1S/C13H21N3/c1-9-10(2)14-11(3)15-13(9)16-12-7-5-4-6-8-12/h12H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyZWQGJARUZXAFLT-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine (CID 134172427) is N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine is Cc1nc(C)c(C)c(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine?
The InChIKey is ZWQGJARUZXAFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-10(2)14-11(3)15-13(9)16-12-7-5-4-6-8-12/h12H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine?
N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 134172427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).