5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine

C12H19N3O — CID 80858351

IUPAC5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine
SMILESCc1cnc(N)nc1OC1CCC(C)CC1
InChIInChI=1S/C12H19N3O/c1-8-3-5-10(6-4-8)16-11-9(2)7-14-12(13)15-11/h7-8,10H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyFXJMGXUGTIHNQW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.32
Rot. Bonds2

About 5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine

5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine (PubChem CID 80858351) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine
PubChem CID80858351
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine
SMILESCc1cnc(N)nc1OC1CCC(C)CC1
InChIInChI=1S/C12H19N3O/c1-8-3-5-10(6-4-8)16-11-9(2)7-14-12(13)15-11/h7-8,10H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyFXJMGXUGTIHNQW-UHFFFAOYSA-N
XLogP2.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine (CID 80858351) is 5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine is Cc1cnc(N)nc1OC1CCC(C)CC1.
What is the InChIKey of 5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine?
The InChIKey is FXJMGXUGTIHNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-3-5-10(6-4-8)16-11-9(2)7-14-12(13)15-11/h7-8,10H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine?
5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine is sourced from PubChem (CID 80858351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).