(6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

C8H13N5O — CID 135873521

IUPAC(6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESC[C@@H]1Nc2nc(N)[nH]c(=O)c2N[C@@H]1C
InChIInChI=1S/C8H13N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,10H,1-2H3,(H4,9,11,12,13,14)/t3-,4+/m1/s1
InChIKeyARHXUJTYUBUXBB-DMTCNVIQSA-N
MW195.23 g/mol
LogP-0.03
Rot. Bonds

About (6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

(6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135873521) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is (6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name(6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135873521
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name(6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESC[C@@H]1Nc2nc(N)[nH]c(=O)c2N[C@@H]1C
InChIInChI=1S/C8H13N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,10H,1-2H3,(H4,9,11,12,13,14)/t3-,4+/m1/s1
InChIKeyARHXUJTYUBUXBB-DMTCNVIQSA-N
XLogP-0.03
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-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

6-Pyruvoyltetrahydropterin
CID 135398695
6-Methyltetrahydropterin
CID 135443397
6-Methyl-7,8-dihydropterin
CID 135420615
6,7-Dimethyl-5,6,7,8-tetrahydropterin
CID 135406872
2-Amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol hydrochloride
CID 135436549
(6R)-6-pyruvoyl-5,6,7,8-tetrahydropterin
CID 135440065
2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-4(3H)-pteridinone
CID 135401455
2,2-dimethyl-N-(5,6,7-trimethyl-4-oxo-3,4,5,6,7,8-hexahydro-2-pteridinyl)propanamide
CID 135401451
2-Amino-6-methylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135409922
2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135998863
Pepteridine A
CID 146684612
Pepteridine B
CID 146684613

Frequently Asked Questions

What is the IUPAC name of (6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of (6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135873521) is (6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for (6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for (6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is C[C@@H]1Nc2nc(N)[nH]c(=O)c2N[C@@H]1C.
What is the InChIKey of (6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is ARHXUJTYUBUXBB-DMTCNVIQSA-N. The full InChI is InChI=1S/C8H13N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,10H,1-2H3,(H4,9,11,12,13,14)/t3-,4+/m1/s1.
What are the key properties of (6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
(6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 195.23 g/mol, XLogP of -0.03, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135873521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).