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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Related Compounds

5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
2-Cyclohexyloxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282361
4-Cyclohexylmethoxy-pyrimidine
CID 138454370
2-Chloro-5-fluoro-4-(1,1,1-trifluoro-3-methylheptan-2-yl)oxypyrimidine
CID 89060361
2-Chloro-5-fluoro-4-(1,1,1-trifluoro-3-methylhexan-2-yl)oxypyrimidine
CID 89209784
4-[(2R)-3-methylbutan-2-yl]oxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 129265029
2-Hexoxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282366
4-[(4-Ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine
CID 165385921
4-(Oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
CID 168893925
4-[2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxy-1-methylcyclohexan-1-ol
CID 171099484
4-Cyclohexyloxy-5-(trifluoromethyl)pyrimidine
CID 174643760
2-Methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
CID 177057431

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).