4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine

C12H19N3O — CID 80878316

IUPAC4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine
SMILESCC1CC(C)CC(Oc2ccnc(N)n2)C1
InChIInChI=1S/C12H19N3O/c1-8-5-9(2)7-10(6-8)16-11-3-4-14-12(13)15-11/h3-4,8-10H,5-7H2,1-2H3,(H2,13,14,15)
InChIKeyCYPXHSRCCIZMDG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.26
Rot. Bonds2

About 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine

4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine (PubChem CID 80878316) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine
PubChem CID80878316
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine
SMILESCC1CC(C)CC(Oc2ccnc(N)n2)C1
InChIInChI=1S/C12H19N3O/c1-8-5-9(2)7-10(6-8)16-11-3-4-14-12(13)15-11/h3-4,8-10H,5-7H2,1-2H3,(H2,13,14,15)
InChIKeyCYPXHSRCCIZMDG-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-Methoxycyclohexyl)oxy]pyrimidin-2-amine
CID 80876113
6-(Cyclohexylmethoxy)pyrimidin-4-amine
CID 80880310
4-Cyclohexylmethoxy-pyrimidine
CID 138454370
4-ethoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447536
4-[(4-Ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine
CID 165385921
4-[(1S)-3,3-difluorocyclohexyl]oxy-2-propan-2-ylpyrimidine
CID 167026619
2-Methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
CID 177057431
2-Chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine
CID 79080781
2-Chloro-4-(3-ethylcyclohexyl)oxy-5-fluoropyrimidine
CID 79080964
2-Chloro-4-(3,5-dimethylcyclohexyl)oxy-5-fluoropyrimidine
CID 79081056
2-Chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine
CID 79081131
2-Chloro-5-fluoro-4-(3-methylcyclohexyl)oxypyrimidine
CID 79081133

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine (CID 80878316) is 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine is CC1CC(C)CC(Oc2ccnc(N)n2)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine?
The InChIKey is CYPXHSRCCIZMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-5-9(2)7-10(6-8)16-11-3-4-14-12(13)15-11/h3-4,8-10H,5-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine?
4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine is sourced from PubChem (CID 80878316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).