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

C17H20N4O2 — CID 138505636

IUPAC2-amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCCc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1
InChIInChI=1S/C17H20N4O2/c1-2-3-5-10-6-4-7-11(8-10)12-9-13(22)19-15-14(12)16(23)21-17(18)20-15/h4,6-8,12H,2-3,5,9H2,1H3,(H4,18,19,20,21,22,23)
InChIKeyGQSCWIIVMZNZQX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.17
Rot. Bonds4

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

2-amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 138505636) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID138505636
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCCc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1
InChIInChI=1S/C17H20N4O2/c1-2-3-5-10-6-4-7-11(8-10)12-9-13(22)19-15-14(12)16(23)21-17(18)20-15/h4,6-8,12H,2-3,5,9H2,1H3,(H4,18,19,20,21,22,23)
InChIKeyGQSCWIIVMZNZQX-UHFFFAOYSA-N
XLogP2.17
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.17
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-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 138505636) is 2-amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CCCCc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1.
What is the InChIKey of 2-amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is GQSCWIIVMZNZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-3-5-10-6-4-7-11(8-10)12-9-13(22)19-15-14(12)16(23)21-17(18)20-15/h4,6-8,12H,2-3,5,9H2,1H3,(H4,18,19,20,21,22,23).
What are the key properties of 2-amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 312.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 138505636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).