2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C15H16N4O4 — CID 135472088

IUPAC2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C15H16N4O4/c1-22-9-4-3-7(5-10(9)23-2)8-6-11(20)17-13-12(8)14(21)19-15(16)18-13/h3-5,8H,6H2,1-2H3,(H4,16,17,18,19,20,21)
InChIKeyDKYOIAYZZLMQRA-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.84
Rot. Bonds3

About 2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135472088) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135472088
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C15H16N4O4/c1-22-9-4-3-7(5-10(9)23-2)8-6-11(20)17-13-12(8)14(21)19-15(16)18-13/h3-5,8H,6H2,1-2H3,(H4,16,17,18,19,20,21)
InChIKeyDKYOIAYZZLMQRA-UHFFFAOYSA-N
XLogP0.84
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-(3-(trifluoromethoxy)phenyl)-3H,4H,5H,6H,7H,8H-pyrido(2,3-d)pyrimidine-4,7-dione
CID 138505641
2-amino-5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 135511602
2-amino-5-(3-ethoxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido(2,3-d)pyrimidine-4,7-dione
CID 142550463
7-Amino-5-(4-ethoxy-3-methoxyphenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 656373
2-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-4-one
CID 597783
5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 4888956
5-(4-Ethoxy-3-methoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 135546793
2-amino-5-(3-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135472147
2-Amino-5-(4-methoxy-3-propoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505634
2-Amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505639
2-Amino-5-(3-methoxy-4-propoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505644
2-Amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505646

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135472088) is 2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is COc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OC.
What is the InChIKey of 2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is DKYOIAYZZLMQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-22-9-4-3-7(5-10(9)23-2)8-6-11(20)17-13-12(8)14(21)19-15(16)18-13/h3-5,8H,6H2,1-2H3,(H4,16,17,18,19,20,21).
What are the key properties of 2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 316.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,4-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135472088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).