7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione

C16H17N5O2 — CID 11529688

IUPAC7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)c(CN)c(N)nc2n(C)c1=O
InChIInChI=1S/C16H17N5O2/c1-20-14-12(15(22)21(2)16(20)23)11(9-6-4-3-5-7-9)10(8-17)13(18)19-14/h3-7H,8,17H2,1-2H3,(H2,18,19)
InChIKeyLAMTXHIPLANNMZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.34
Rot. Bonds2

About 7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione

7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 11529688) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID11529688
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)c(CN)c(N)nc2n(C)c1=O
InChIInChI=1S/C16H17N5O2/c1-20-14-12(15(22)21(2)16(20)23)11(9-6-4-3-5-7-9)10(8-17)13(18)19-14/h3-7H,8,17H2,1-2H3,(H2,18,19)
InChIKeyLAMTXHIPLANNMZ-UHFFFAOYSA-N
XLogP0.34
TPSA108.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione (CID 11529688) is 7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3)c(CN)c(N)nc2n(C)c1=O.
What is the InChIKey of 7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LAMTXHIPLANNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-20-14-12(15(22)21(2)16(20)23)11(9-6-4-3-5-7-9)10(8-17)13(18)19-14/h3-7H,8,17H2,1-2H3,(H2,18,19).
What are the key properties of 7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 311.34 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11529688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).