3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one

C15H19N3O — CID 63770409

IUPAC3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one
SMILESCC(C)c1ccc(C(N)Cn2cnccc2=O)cc1
InChIInChI=1S/C15H19N3O/c1-11(2)12-3-5-13(6-4-12)14(16)9-18-10-17-8-7-15(18)19/h3-8,10-11,14H,9,16H2,1-2H3
InChIKeyWSBXOIVQLXAJJQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.07
Rot. Bonds4

About 3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one

3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one (PubChem CID 63770409) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one
PubChem CID63770409
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one
SMILESCC(C)c1ccc(C(N)Cn2cnccc2=O)cc1
InChIInChI=1S/C15H19N3O/c1-11(2)12-3-5-13(6-4-12)14(16)9-18-10-17-8-7-15(18)19/h3-8,10-11,14H,9,16H2,1-2H3
InChIKeyWSBXOIVQLXAJJQ-UHFFFAOYSA-N
XLogP2.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one (CID 63770409) is 3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one is CC(C)c1ccc(C(N)Cn2cnccc2=O)cc1.
What is the InChIKey of 3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one?
The InChIKey is WSBXOIVQLXAJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)12-3-5-13(6-4-12)14(16)9-18-10-17-8-7-15(18)19/h3-8,10-11,14H,9,16H2,1-2H3.
What are the key properties of 3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one?
3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one has a molecular weight of 257.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63770409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).