N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine

C13H21N3 — CID 63994723

IUPACN-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC2CCC(C)CC2C)nc1
InChIInChI=1S/C13H21N3/c1-9-4-5-12(11(3)6-9)16-13-14-7-10(2)8-15-13/h7-9,11-12H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyAEMYSSFNMQBSDR-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.02
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine

N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine (PubChem CID 63994723) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine
PubChem CID63994723
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC2CCC(C)CC2C)nc1
InChIInChI=1S/C13H21N3/c1-9-4-5-12(11(3)6-9)16-13-14-7-10(2)8-15-13/h7-9,11-12H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyAEMYSSFNMQBSDR-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine (CID 63994723) is N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine is Cc1cnc(NC2CCC(C)CC2C)nc1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine?
The InChIKey is AEMYSSFNMQBSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-4-5-12(11(3)6-9)16-13-14-7-10(2)8-15-13/h7-9,11-12H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine?
N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 63994723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).