1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine

C17H21N3 — CID 63079527

IUPAC1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine
SMILESCc1nc(C2(c3ccccc3)CCC2)ncc1C(C)N
InChIInChI=1S/C17H21N3/c1-12(18)15-11-19-16(20-13(15)2)17(9-6-10-17)14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,18H2,1-2H3
InChIKeyVAUAPHAEHJYQPY-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.27
Rot. Bonds3

About 1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine

1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine (PubChem CID 63079527) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine
PubChem CID63079527
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine
SMILESCc1nc(C2(c3ccccc3)CCC2)ncc1C(C)N
InChIInChI=1S/C17H21N3/c1-12(18)15-11-19-16(20-13(15)2)17(9-6-10-17)14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,18H2,1-2H3
InChIKeyVAUAPHAEHJYQPY-UHFFFAOYSA-N
XLogP3.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine (CID 63079527) is 1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine is Cc1nc(C2(c3ccccc3)CCC2)ncc1C(C)N.
What is the InChIKey of 1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine?
The InChIKey is VAUAPHAEHJYQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12(18)15-11-19-16(20-13(15)2)17(9-6-10-17)14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,18H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine?
1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 63079527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).