2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

C16H27N3O — CID 116776210

IUPAC2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCOC1(c2nc(C)c(C(C)C)c(N)n2)CCCC(C)C1
InChIInChI=1S/C16H27N3O/c1-10(2)13-12(4)18-15(19-14(13)17)16(20-5)8-6-7-11(3)9-16/h10-11H,6-9H2,1-5H3,(H2,17,18,19)
InChIKeyFZDNPNJHYUSBBF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.54
Rot. Bonds3

About 2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 116776210) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID116776210
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCOC1(c2nc(C)c(C(C)C)c(N)n2)CCCC(C)C1
InChIInChI=1S/C16H27N3O/c1-10(2)13-12(4)18-15(19-14(13)17)16(20-5)8-6-7-11(3)9-16/h10-11H,6-9H2,1-5H3,(H2,17,18,19)
InChIKeyFZDNPNJHYUSBBF-UHFFFAOYSA-N
XLogP3.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116776204
2-(1-methoxy-3-methylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 116775498
5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116746223
[2-(1-methoxy-3-methylcyclohexyl)-4-methylpyrimidin-5-yl]methanamine
CID 114205933
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116742706
2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazol-4-amine
CID 116782598
1-[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116774230
[2-(1-methoxy-3-methylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777478
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780808
5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine
CID 116729345
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 116780819

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (CID 116776210) is 2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is COC1(c2nc(C)c(C(C)C)c(N)n2)CCCC(C)C1.
What is the InChIKey of 2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is FZDNPNJHYUSBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-10(2)13-12(4)18-15(19-14(13)17)16(20-5)8-6-7-11(3)9-16/h10-11H,6-9H2,1-5H3,(H2,17,18,19).
What are the key properties of 2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116776210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).