2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine

C16H21N3 — CID 63196625

IUPAC2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine
SMILESCc1cc(CC(N)c2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C16H21N3/c1-11(2)16-18-12(3)9-14(19-16)10-15(17)13-7-5-4-6-8-13/h4-9,11,15H,10,17H2,1-3H3
InChIKeyWZLJTZKGHSKYJB-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.15
Rot. Bonds4

About 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine

2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine (PubChem CID 63196625) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine
PubChem CID63196625
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine
SMILESCc1cc(CC(N)c2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C16H21N3/c1-11(2)16-18-12(3)9-14(19-16)10-15(17)13-7-5-4-6-8-13/h4-9,11,15H,10,17H2,1-3H3
InChIKeyWZLJTZKGHSKYJB-UHFFFAOYSA-N
XLogP3.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-pyridinyl)-1-phenylethanamine
CID 63196674
2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine
CID 63196981
3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine
CID 55162008
1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
CID 55204515
4-fluoro-6-methyl-2-propan-2-ylpyrimidine
CID 173416420
N-[2-(aminomethyl)phenyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 63760130
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
CID 43517247
2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
CID 65272739
2-amino-2-(4-ethyl-6-methylpyrimidin-2-yl)ethanol
CID 116895777
1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine
CID 62366704
3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one
CID 63768475
2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine
CID 60818981

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine?
The IUPAC name of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine (CID 63196625) is 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine?
The canonical SMILES for 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine is Cc1cc(CC(N)c2ccccc2)nc(C(C)C)n1.
What is the InChIKey of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine?
The InChIKey is WZLJTZKGHSKYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)16-18-12(3)9-14(19-16)10-15(17)13-7-5-4-6-8-13/h4-9,11,15H,10,17H2,1-3H3.
What are the key properties of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine?
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine is sourced from PubChem (CID 63196625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).