6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine

C12H18FN3 — CID 115416765

IUPAC6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCCCC1N(C)c1cc(F)ncn1
InChIInChI=1S/C12H18FN3/c1-9-5-3-4-6-10(9)16(2)12-7-11(13)14-8-15-12/h7-10H,3-6H2,1-2H3
InChIKeyHJRVZRJFNYAZNB-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.63
Rot. Bonds2

About 6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine

6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 115416765) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
PubChem CID115416765
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCCCC1N(C)c1cc(F)ncn1
InChIInChI=1S/C12H18FN3/c1-9-5-3-4-6-10(9)16(2)12-7-11(13)14-8-15-12/h7-10H,3-6H2,1-2H3
InChIKeyHJRVZRJFNYAZNB-UHFFFAOYSA-N
XLogP2.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine (CID 115416765) is 6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine is CC1CCCCC1N(C)c1cc(F)ncn1.
What is the InChIKey of 6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is HJRVZRJFNYAZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-9-5-3-4-6-10(9)16(2)12-7-11(13)14-8-15-12/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine?
6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 223.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 115416765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).