7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione

C21H27N5O5 — CID 129260624

IUPAC7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
SMILESCCCCCc1[nH]c(=O)cnc1Oc1cc(=O)c2c(=O)[nH]c(=O)n(CCCCC)c2[nH]1
InChIInChI=1S/C21H27N5O5/c1-3-5-7-9-13-20(22-12-15(28)23-13)31-16-11-14(27)17-18(24-16)26(10-8-6-4-2)21(30)25-19(17)29/h11-12H,3-10H2,1-2H3,(H,23,28)(H,24,27)(H,25,29,30)
InChIKeyLAQKTGGWXHORNX-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.18
Rot. Bonds10

About 7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione

7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione (PubChem CID 129260624) has the molecular formula C21H27N5O5 and a molecular weight of 429.48 g/mol. Its IUPAC name is 7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
PubChem CID129260624
Molecular FormulaC21H27N5O5
Molecular Weight429.48 g/mol
Exact Mass429.20
IUPAC Name7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
SMILESCCCCCc1[nH]c(=O)cnc1Oc1cc(=O)c2c(=O)[nH]c(=O)n(CCCCC)c2[nH]1
InChIInChI=1S/C21H27N5O5/c1-3-5-7-9-13-20(22-12-15(28)23-13)31-16-11-14(27)17-18(24-16)26(10-8-6-4-2)21(30)25-19(17)29/h11-12H,3-10H2,1-2H3,(H,23,28)(H,24,27)(H,25,29,30)
InChIKeyLAQKTGGWXHORNX-UHFFFAOYSA-N
XLogP2.18
TPSA142.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-6-pentyl-1H-pyrazin-2-one
CID 169246543
6-amino-1-tetradecylpyrimidine-2,4-dione
CID 22924826
6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 68738502
4-dodecylbenzo[f]quinazoline-1,3-dione
CID 59194270
9-butyl-3,6,7,9,11-pentazatricyclo[6.4.0.02,6]dodeca-1,7-diene-10,12-dione
CID 135778495
6-bromo-1-pentylquinazoline-2,4-dione
CID 141462501
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione
CID 46245137
3-butyl-7-ethyl-8-(3-phenoxyphenyl)purine-2,6-dione
CID 167806457
1-butyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 12728284
1-butyl-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17148094
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792

Frequently Asked Questions

What is the IUPAC name of 7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The IUPAC name of 7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione (CID 129260624) is 7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione is CCCCCc1[nH]c(=O)cnc1Oc1cc(=O)c2c(=O)[nH]c(=O)n(CCCCC)c2[nH]1.
What is the InChIKey of 7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The InChIKey is LAQKTGGWXHORNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5/c1-3-5-7-9-13-20(22-12-15(28)23-13)31-16-11-14(27)17-18(24-16)26(10-8-6-4-2)21(30)25-19(17)29/h11-12H,3-10H2,1-2H3,(H,23,28)(H,24,27)(H,25,29,30).
What are the key properties of 7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione has a molecular weight of 429.48 g/mol, XLogP of 2.18, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-oxo-2-pentyl-1H-pyrazin-3-yl)oxy]-1-pentyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 129260624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).