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

C16H18N4O2 — CID 142550471

IUPAC2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1
InChIInChI=1S/C16H18N4O2/c1-2-4-9-5-3-6-10(7-9)11-8-12(21)18-14-13(11)15(22)20-16(17)19-14/h3,5-7,11H,2,4,8H2,1H3,(H4,17,18,19,20,21,22)
InChIKeyCEIGTPLNDBBILW-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.78
Rot. Bonds3

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

2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 142550471) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID142550471
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1
InChIInChI=1S/C16H18N4O2/c1-2-4-9-5-3-6-10(7-9)11-8-12(21)18-14-13(11)15(22)20-16(17)19-14/h3,5-7,11H,2,4,8H2,1H3,(H4,17,18,19,20,21,22)
InChIKeyCEIGTPLNDBBILW-UHFFFAOYSA-N
XLogP1.78
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 142550471) is 2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CCCc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1.
What is the InChIKey of 2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is CEIGTPLNDBBILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-4-9-5-3-6-10(7-9)11-8-12(21)18-14-13(11)15(22)20-16(17)19-14/h3,5-7,11H,2,4,8H2,1H3,(H4,17,18,19,20,21,22).
What are the key properties of 2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 298.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 142550471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).