2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine

C16H21N3 — CID 62746647

IUPAC2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine
SMILESCc1nc(CCc2ccccc2)nc(C)c1CCN
InChIInChI=1S/C16H21N3/c1-12-15(10-11-17)13(2)19-16(18-12)9-8-14-6-4-3-5-7-14/h3-7H,8-11,17H2,1-2H3
InChIKeyCLHPATAHIZJZSQ-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.38
Rot. Bonds5

About 2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine

2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine (PubChem CID 62746647) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine
PubChem CID62746647
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine
SMILESCc1nc(CCc2ccccc2)nc(C)c1CCN
InChIInChI=1S/C16H21N3/c1-12-15(10-11-17)13(2)19-16(18-12)9-8-14-6-4-3-5-7-14/h3-7H,8-11,17H2,1-2H3
InChIKeyCLHPATAHIZJZSQ-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine (CID 62746647) is 2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine is Cc1nc(CCc2ccccc2)nc(C)c1CCN.
What is the InChIKey of 2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is CLHPATAHIZJZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-15(10-11-17)13(2)19-16(18-12)9-8-14-6-4-3-5-7-14/h3-7H,8-11,17H2,1-2H3.
What are the key properties of 2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine?
2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 255.37 g/mol, XLogP of 2.38, 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-(2-phenylethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 62746647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).