1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine

C16H27N3O — CID 116779189

IUPAC1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine
SMILESCOC1(c2nc(C)cc(CC(C)N)n2)CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-11-5-7-16(20-4,8-6-11)15-18-13(3)10-14(19-15)9-12(2)17/h10-12H,5-9,17H2,1-4H3
InChIKeyLFFGLSBFVZCSLY-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.73
Rot. Bonds4

About 1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine

1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine (PubChem CID 116779189) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine
PubChem CID116779189
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine
SMILESCOC1(c2nc(C)cc(CC(C)N)n2)CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-11-5-7-16(20-4,8-6-11)15-18-13(3)10-14(19-15)9-12(2)17/h10-12H,5-9,17H2,1-4H3
InChIKeyLFFGLSBFVZCSLY-UHFFFAOYSA-N
XLogP2.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-ethyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 116777579
[2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 116778602
1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine
CID 62797250
N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 104611857
4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine
CID 116779068
5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777303
1-[2-(1-methoxy-4-methylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 116779383
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116745680
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116742557
[2-(1-methoxycyclopentyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 113432905
4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
CID 116745903
(1R)-1-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565597

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine (CID 116779189) is 1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine is COC1(c2nc(C)cc(CC(C)N)n2)CCC(C)CC1.
What is the InChIKey of 1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine?
The InChIKey is LFFGLSBFVZCSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11-5-7-16(20-4,8-6-11)15-18-13(3)10-14(19-15)9-12(2)17/h10-12H,5-9,17H2,1-4H3.
What are the key properties of 1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine?
1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 116779189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).