2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C19H22FN5O2 — CID 135637712

IUPAC2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCN1CCN(c2nc3c(c(=O)[nH]2)C(c2ccccc2F)CC(=O)N3)CC1
InChIInChI=1S/C19H22FN5O2/c1-2-24-7-9-25(10-8-24)19-22-17-16(18(27)23-19)13(11-15(26)21-17)12-5-3-4-6-14(12)20/h3-6,13H,2,7-11H2,1H3,(H2,21,22,23,26,27)
InChIKeyVXTZZYWSCBDTTM-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.52
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135637712) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135637712
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCN1CCN(c2nc3c(c(=O)[nH]2)C(c2ccccc2F)CC(=O)N3)CC1
InChIInChI=1S/C19H22FN5O2/c1-2-24-7-9-25(10-8-24)19-22-17-16(18(27)23-19)13(11-15(26)21-17)12-5-3-4-6-14(12)20/h3-6,13H,2,7-11H2,1H3,(H2,21,22,23,26,27)
InChIKeyVXTZZYWSCBDTTM-UHFFFAOYSA-N
XLogP1.52
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637709
2-(4-ethylpiperazin-1-yl)-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637717
5-(2-chlorophenyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637843
(5S)-5-(2-methoxyphenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222397
(5R)-5-(2-chloro-6-fluorophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222470
(5S)-5-(2-nitrophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222389
(5S)-5-(2-fluorophenyl)-2-prop-2-enylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135557104
2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637799
5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135652575
5-(2,3-dimethoxyphenyl)-2-thiomorpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637833
(5S)-5-(2,5-dimethylphenyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222356
(5S)-5-(2,3-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136910125

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135637712) is 2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CCN1CCN(c2nc3c(c(=O)[nH]2)C(c2ccccc2F)CC(=O)N3)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is VXTZZYWSCBDTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-2-24-7-9-25(10-8-24)19-22-17-16(18(27)23-19)13(11-15(26)21-17)12-5-3-4-6-14(12)20/h3-6,13H,2,7-11H2,1H3,(H2,21,22,23,26,27).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 371.42 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135637712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).