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

C16H16N4O3 — CID 142550460

IUPAC2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESC=CCOc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1
InChIInChI=1S/C16H16N4O3/c1-2-6-23-10-5-3-4-9(7-10)11-8-12(21)18-14-13(11)15(22)20-16(17)19-14/h2-5,7,11H,1,6,8H2,(H4,17,18,19,20,21,22)
InChIKeyRBDDQWALLRHOQW-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.39
Rot. Bonds4

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

2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 142550460) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID142550460
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESC=CCOc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1
InChIInChI=1S/C16H16N4O3/c1-2-6-23-10-5-3-4-9(7-10)11-8-12(21)18-14-13(11)15(22)20-16(17)19-14/h2-5,7,11H,1,6,8H2,(H4,17,18,19,20,21,22)
InChIKeyRBDDQWALLRHOQW-UHFFFAOYSA-N
XLogP1.39
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 142550460) is 2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is C=CCOc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1.
What is the InChIKey of 2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is RBDDQWALLRHOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-2-6-23-10-5-3-4-9(7-10)11-8-12(21)18-14-13(11)15(22)20-16(17)19-14/h2-5,7,11H,1,6,8H2,(H4,17,18,19,20,21,22).
What are the key properties of 2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 312.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 142550460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).