2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one

C21H25N5O — CID 44616046

IUPAC2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one
SMILESCCN1CCN(c2ncc3c(=O)n(CCc4ccccc4)ccc3n2)CC1
InChIInChI=1S/C21H25N5O/c1-2-24-12-14-26(15-13-24)21-22-16-18-19(23-21)9-11-25(20(18)27)10-8-17-6-4-3-5-7-17/h3-7,9,11,16H,2,8,10,12-15H2,1H3
InChIKeyALLUJXFVAYPCEZ-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.18
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one

2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one (PubChem CID 44616046) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one
PubChem CID44616046
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one
SMILESCCN1CCN(c2ncc3c(=O)n(CCc4ccccc4)ccc3n2)CC1
InChIInChI=1S/C21H25N5O/c1-2-24-12-14-26(15-13-24)21-22-16-18-19(23-21)9-11-25(20(18)27)10-8-17-6-4-3-5-7-17/h3-7,9,11,16H,2,8,10,12-15H2,1H3
InChIKeyALLUJXFVAYPCEZ-UHFFFAOYSA-N
XLogP2.18
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
CID 44616049
6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
CID 17190770
ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate
CID 14666346
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 112888435
2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one
CID 46397650
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212
6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 25239662
4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 53143924
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
3-methyl-7-(2-phenylethyl)imidazo[1,5-a]pyrazin-8-one
CID 53172172

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one (CID 44616046) is 2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one is CCN1CCN(c2ncc3c(=O)n(CCc4ccccc4)ccc3n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is ALLUJXFVAYPCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-24-12-14-26(15-13-24)21-22-16-18-19(23-21)9-11-25(20(18)27)10-8-17-6-4-3-5-7-17/h3-7,9,11,16H,2,8,10,12-15H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one?
2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 363.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-6-(2-phenylethyl)pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 44616046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).