1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one

C8H13N5O — CID 54233822

IUPAC1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one
SMILESCNC1NC(=O)C2N=CCN=C2N1C
InChIInChI=1S/C8H13N5O/c1-9-8-12-7(14)5-6(13(8)2)11-4-3-10-5/h3,5,8-9H,4H2,1-2H3,(H,12,14)
InChIKeyQLDAIFWACCDXSN-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.60
Rot. Bonds1

About 1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one

1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one (PubChem CID 54233822) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one.

Molecular Properties

Compound Name1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one
PubChem CID54233822
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one
SMILESCNC1NC(=O)C2N=CCN=C2N1C
InChIInChI=1S/C8H13N5O/c1-9-8-12-7(14)5-6(13(8)2)11-4-3-10-5/h3,5,8-9H,4H2,1-2H3,(H,12,14)
InChIKeyQLDAIFWACCDXSN-UHFFFAOYSA-N
XLogP-1.60
TPSA69.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Imino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
CID 137630723
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
Methyltetrahydro-pterin
CID 129668725
6,6-Dimethyltetrahydro-pterin
CID 129692030
Methylenetetrahydromethylpterin
CID 154636527
(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-(dimethylamino)-6,7-dimethyl-4a,5,6,7-tetrahydro-3H-pteridin-4-one
CID 145918486
N-(4-acetylimino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
CID 145918504
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one?
The IUPAC name of 1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one (CID 54233822) is 1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one.
What is the SMILES notation for 1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one?
The canonical SMILES for 1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one is CNC1NC(=O)C2N=CCN=C2N1C.
What is the InChIKey of 1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one?
The InChIKey is QLDAIFWACCDXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-9-8-12-7(14)5-6(13(8)2)11-4-3-10-5/h3,5,8-9H,4H2,1-2H3,(H,12,14).
What are the key properties of 1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one?
1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one has a molecular weight of 195.23 g/mol, XLogP of -1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one is sourced from PubChem (CID 54233822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).