2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one

C7H11N5O — CID 54537290

IUPAC2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one
SMILESCC1=NC2C(=O)NC(N)NC2=NC1
InChIInChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h4,7H,2,8H2,1H3,(H,9,11)(H,12,13)
InChIKeyZARJINDSBMWFPV-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.81
Rot. Bonds

About 2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one

2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one (PubChem CID 54537290) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one
PubChem CID54537290
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one
SMILESCC1=NC2C(=O)NC(N)NC2=NC1
InChIInChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h4,7H,2,8H2,1H3,(H,9,11)(H,12,13)
InChIKeyZARJINDSBMWFPV-UHFFFAOYSA-N
XLogP-1.81
TPSA91.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Imino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
CID 137630723
2-Amino-2,3,6,7-tetrahydro-1H-pteridin-4-one
CID 73188274
1-Methyl-2-(methylamino)-2,3,6,7-tetrahydropteridin-4-one
CID 53767476
2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one
CID 73164738
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
(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-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde
CID 54049739
2-(methylideneamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one
CID 91156940
2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one
CID 91227454

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one?
The IUPAC name of 2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one (CID 54537290) is 2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one?
The canonical SMILES for 2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one is CC1=NC2C(=O)NC(N)NC2=NC1.
What is the InChIKey of 2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one?
The InChIKey is ZARJINDSBMWFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h4,7H,2,8H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one?
2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one has a molecular weight of 181.20 g/mol, XLogP of -1.81, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one is sourced from PubChem (CID 54537290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).