2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine

C18H31N3 — CID 65390475

IUPAC2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nc(C2CCC(C)(C)CC2)nc1C
InChIInChI=1S/C18H31N3/c1-12(11-19-6)16-13(2)20-17(21-14(16)3)15-7-9-18(4,5)10-8-15/h12,15,19H,7-11H2,1-6H3
InChIKeyKNWSAKUSRYQLJV-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.10
Rot. Bonds4

About 2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine

2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine (PubChem CID 65390475) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
PubChem CID65390475
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nc(C2CCC(C)(C)CC2)nc1C
InChIInChI=1S/C18H31N3/c1-12(11-19-6)16-13(2)20-17(21-14(16)3)15-7-9-18(4,5)10-8-15/h12,15,19H,7-11H2,1-6H3
InChIKeyKNWSAKUSRYQLJV-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 65389885
2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 80680873
3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
CID 65293724
2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 65390273
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65392265
3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55134669
[2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114216456
1-[2-(4,4-dimethylcyclohexyl)-5-methylpyrimidin-4-yl]-N-methylmethanamine
CID 114245205
2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 65399993
2-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 107924274
2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 65197799
1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65391068

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine (CID 65390475) is 2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine is CNCC(C)c1c(C)nc(C2CCC(C)(C)CC2)nc1C.
What is the InChIKey of 2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The InChIKey is KNWSAKUSRYQLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-12(11-19-6)16-13(2)20-17(21-14(16)3)15-7-9-18(4,5)10-8-15/h12,15,19H,7-11H2,1-6H3.
What are the key properties of 2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 65390475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).