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

C14H14N4O3 — CID 135472147

IUPAC2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1
InChIInChI=1S/C14H14N4O3/c1-21-8-4-2-3-7(5-8)9-6-10(19)16-12-11(9)13(20)18-14(15)17-12/h2-5,9H,6H2,1H3,(H4,15,16,17,18,19,20)
InChIKeyRKKHKCXYWWGKQE-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.83
Rot. Bonds2

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

2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135472147) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135472147
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1
InChIInChI=1S/C14H14N4O3/c1-21-8-4-2-3-7(5-8)9-6-10(19)16-12-11(9)13(20)18-14(15)17-12/h2-5,9H,6H2,1H3,(H4,15,16,17,18,19,20)
InChIKeyRKKHKCXYWWGKQE-UHFFFAOYSA-N
XLogP0.83
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135472147) is 2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is COc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1.
What is the InChIKey of 2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is RKKHKCXYWWGKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-21-8-4-2-3-7(5-8)9-6-10(19)16-12-11(9)13(20)18-14(15)17-12/h2-5,9H,6H2,1H3,(H4,15,16,17,18,19,20).
What are the key properties of 2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 286.29 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135472147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).