3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one

C15H19N3O2 — CID 82105226

IUPAC3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n(CCCN)c(C)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-11-17-14(10-15(19)18(11)9-3-8-16)12-4-6-13(20-2)7-5-12/h4-7,10H,3,8-9,16H2,1-2H3
InChIKeyBKTNEFSPEIEHMO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.58
Rot. Bonds5

About 3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one

3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one (PubChem CID 82105226) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one
PubChem CID82105226
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n(CCCN)c(C)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-11-17-14(10-15(19)18(11)9-3-8-16)12-4-6-13(20-2)7-5-12/h4-7,10H,3,8-9,16H2,1-2H3
InChIKeyBKTNEFSPEIEHMO-UHFFFAOYSA-N
XLogP1.58
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one?
The IUPAC name of 3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one (CID 82105226) is 3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one is COc1ccc(-c2cc(=O)n(CCCN)c(C)n2)cc1.
What is the InChIKey of 3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one?
The InChIKey is BKTNEFSPEIEHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-17-14(10-15(19)18(11)9-3-8-16)12-4-6-13(20-2)7-5-12/h4-7,10H,3,8-9,16H2,1-2H3.
What are the key properties of 3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one?
3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 82105226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).