2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one

C8H13N5O — CID 57262440

IUPAC2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one
SMILESCN1C2=NCC=NC2C(=O)NC1(C)N
InChIInChI=1S/C8H13N5O/c1-8(9)12-7(14)5-6(13(8)2)11-4-3-10-5/h3,5H,4,9H2,1-2H3,(H,12,14)
InChIKeyIUJZECYWPAAYOL-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.47
Rot. Bonds

About 2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one

2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one (PubChem CID 57262440) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one
PubChem CID57262440
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one
SMILESCN1C2=NCC=NC2C(=O)NC1(C)N
InChIInChI=1S/C8H13N5O/c1-8(9)12-7(14)5-6(13(8)2)11-4-3-10-5/h3,5H,4,9H2,1-2H3,(H,12,14)
InChIKeyIUJZECYWPAAYOL-UHFFFAOYSA-N
XLogP-1.47
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-Imino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
CID 137630723
6,6-Dimethyltetrahydro-pterin
CID 129692030
(6R)-2-amino-6-(aminomethyl)-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 124222454
(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 135393520
2-Amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
CID 73346152
6-Methyl-2-methylimino-4a,8-dihydropteridine-4,7-dione
CID 145918485
2-(dimethylamino)-6,7-dimethyl-4a,5,6,7-tetrahydro-3H-pteridin-4-one
CID 145918486
2,2-dimethyl-N-(5,6,7-trimethyl-4-oxo-3,4a,6,7-tetrahydropteridin-2-yl)propanamide
CID 145925495
2-amino-1,2-dimethyl-4a,5-dihydro-3H-pteridin-4-one
CID 20082241
2-amino-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 53675801
2-(methylamino)-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 53695782
2-oxo-N-(4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl)propanamide
CID 53747632

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one (CID 57262440) is 2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one is CN1C2=NCC=NC2C(=O)NC1(C)N.
What is the InChIKey of 2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one?
The InChIKey is IUJZECYWPAAYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-8(9)12-7(14)5-6(13(8)2)11-4-3-10-5/h3,5H,4,9H2,1-2H3,(H,12,14).
What are the key properties of 2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one?
2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one has a molecular weight of 195.23 g/mol, XLogP of -1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 57262440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).