2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine

C18H25N3 — CID 62745627

IUPAC2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(-c2ccc(C(C)C)cc2)nc1C
InChIInChI=1S/C18H25N3/c1-12(2)15-6-8-16(9-7-15)18-20-13(3)17(10-11-19-5)14(4)21-18/h6-9,12,19H,10-11H2,1-5H3
InChIKeyXUDAZFNFPCISJF-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.65
Rot. Bonds5

About 2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine

2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine (PubChem CID 62745627) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine
PubChem CID62745627
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(-c2ccc(C(C)C)cc2)nc1C
InChIInChI=1S/C18H25N3/c1-12(2)15-6-8-16(9-7-15)18-20-13(3)17(10-11-19-5)14(4)21-18/h6-9,12,19H,10-11H2,1-5H3
InChIKeyXUDAZFNFPCISJF-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62744950
2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine
CID 62744051
3-[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 106849840
1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62745644
2-[4,6-dimethyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidin-5-yl]-N-methylethanamine
CID 114282698
2-[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 79718495
1-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744615
2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine
CID 62745455
3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62746667
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
2-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine
CID 62744403
3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 62746134

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine (CID 62745627) is 2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine is CNCCc1c(C)nc(-c2ccc(C(C)C)cc2)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine?
The InChIKey is XUDAZFNFPCISJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12(2)15-6-8-16(9-7-15)18-20-13(3)17(10-11-19-5)14(4)21-18/h6-9,12,19H,10-11H2,1-5H3.
What are the key properties of 2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine?
2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 62745627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).