2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione

C10H14N4O2 — CID 135833894

IUPAC2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione
SMILESCc1nc2c(c(=O)[nH]1)NC(=O)C(C(C)C)N2
InChIInChI=1S/C10H14N4O2/c1-4(2)6-9(15)14-7-8(13-6)11-5(3)12-10(7)16/h4,6H,1-3H3,(H,14,15)(H2,11,12,13,16)
InChIKeyHKVZIDVRYBFLRA-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.47
Rot. Bonds1

About 2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione

2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione (PubChem CID 135833894) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione
PubChem CID135833894
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione
SMILESCc1nc2c(c(=O)[nH]1)NC(=O)C(C(C)C)N2
InChIInChI=1S/C10H14N4O2/c1-4(2)6-9(15)14-7-8(13-6)11-5(3)12-10(7)16/h4,6H,1-3H3,(H,14,15)(H2,11,12,13,16)
InChIKeyHKVZIDVRYBFLRA-UHFFFAOYSA-N
XLogP0.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-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 2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione?
The IUPAC name of 2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione (CID 135833894) is 2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione.
What is the SMILES notation for 2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione?
The canonical SMILES for 2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione is Cc1nc2c(c(=O)[nH]1)NC(=O)C(C(C)C)N2.
What is the InChIKey of 2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione?
The InChIKey is HKVZIDVRYBFLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-4(2)6-9(15)14-7-8(13-6)11-5(3)12-10(7)16/h4,6H,1-3H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione?
2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione has a molecular weight of 222.25 g/mol, XLogP of 0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-3,5,7,8-tetrahydropteridine-4,6-dione is sourced from PubChem (CID 135833894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).