2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one

C17H17N3O3S — CID 67509671

IUPAC2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCS(=O)(=O)c1ccccc1-c1c(CCN)nc2ccccn2c1=O
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)14-7-3-2-6-12(14)16-13(9-10-18)19-15-8-4-5-11-20(15)17(16)21/h2-8,11H,9-10,18H2,1H3
InChIKeyNSKNVJWYYRFNRU-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.27
Rot. Bonds4

About 2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one

2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 67509671) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID67509671
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCS(=O)(=O)c1ccccc1-c1c(CCN)nc2ccccn2c1=O
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)14-7-3-2-6-12(14)16-13(9-10-18)19-15-8-4-5-11-20(15)17(16)21/h2-8,11H,9-10,18H2,1H3
InChIKeyNSKNVJWYYRFNRU-UHFFFAOYSA-N
XLogP1.27
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 164641946
6-[2-(2-Methylsulfanylphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 172908547
2-(2-((difluoromethyl)sulfonyl)benzoyl)-8-fluoro-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91818339
8-fluoro-2-(2-(4-(isopropylsulfonyl)phenyl)acetyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 92127927
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)propyl]-4-methylbenzenesulfonamide
CID 11272084
2-(1-Aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 66831362
2-(1-Aminoethyl)-3-(2-sulfanylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 68039807
(2-Cyclohexylimino-1-pyridinyl)-(3-methylsulfonylphenyl)methanone
CID 16626288
(2-Methylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 18229551
(3-Methylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 18267880
(2-Cyclohexylimino-1-pyridinyl)-(2-methylsulfonylphenyl)methanone
CID 18271054
(4-Methylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 41668853

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one (CID 67509671) is 2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one is CS(=O)(=O)c1ccccc1-c1c(CCN)nc2ccccn2c1=O.
What is the InChIKey of 2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NSKNVJWYYRFNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-24(22,23)14-7-3-2-6-12(14)16-13(9-10-18)19-15-8-4-5-11-20(15)17(16)21/h2-8,11H,9-10,18H2,1H3.
What are the key properties of 2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one?
2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 343.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-(2-methylsulfonylphenyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67509671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).