2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one

C8H13N5O — CID 73164738

IUPAC2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one
SMILESCC1N=C2C(=O)NC(N)N=C2NC1C
InChIInChI=1S/C8H13N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,8H,9H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyQBFPWVLUHGEUNL-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.42
Rot. Bonds

About 2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one

2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one (PubChem CID 73164738) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one
PubChem CID73164738
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one
SMILESCC1N=C2C(=O)NC(N)N=C2NC1C
InChIInChI=1S/C8H13N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,8H,9H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyQBFPWVLUHGEUNL-UHFFFAOYSA-N
XLogP-1.42
TPSA91.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-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

7,8-Dihydroxanthopterin
CID 136648281
(6R)-2-amino-6-methyl-6,7-dihydro-3H-pteridin-4-one
CID 135566472
2-Imino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
CID 137630723
6,7-Dimethyltetra-hydropterin
CID 9899443
1-Methyl-2-(methylamino)-2,3,6,7-tetrahydropteridin-4-one
CID 53767476
2-Amino-6-methyl-2,3,6,7-tetrahydro-1H-pteridin-4-one
CID 73188125
(6S)-2-amino-6-methyl-6,7-dihydro-3H-pteridin-4-one
CID 135566579
2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one
CID 91227454
6,7-Dimethyl-tetrahydropteridin-4(3h)one
CID 129675501
7,8-Dimethyl-6,7-dihydropterin
CID 129852420
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one?
The IUPAC name of 2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one (CID 73164738) is 2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one.
What is the SMILES notation for 2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one?
The canonical SMILES for 2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one is CC1N=C2C(=O)NC(N)N=C2NC1C.
What is the InChIKey of 2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one?
The InChIKey is QBFPWVLUHGEUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,8H,9H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one?
2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one has a molecular weight of 195.23 g/mol, XLogP of -1.42, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one is sourced from PubChem (CID 73164738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).