2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one

C7H11N5O — CID 91227454

IUPAC2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one
SMILESCNC1NC(=O)C2=NCCN=C2N1
InChIInChI=1S/C7H11N5O/c1-8-7-11-5-4(6(13)12-7)9-2-3-10-5/h7-8H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyWVIQYTPRIMMFOQ-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.94
Rot. Bonds1

About 2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one

2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one (PubChem CID 91227454) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one.

Molecular Properties

Compound Name2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one
PubChem CID91227454
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one
SMILESCNC1NC(=O)C2=NCCN=C2N1
InChIInChI=1S/C7H11N5O/c1-8-7-11-5-4(6(13)12-7)9-2-3-10-5/h7-8H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyWVIQYTPRIMMFOQ-UHFFFAOYSA-N
XLogP-1.94
TPSA77.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-2-amino-6-methyl-6,7-dihydro-3H-pteridin-4-one
CID 135566472
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
(6S)-2-amino-6-methyl-6,7-dihydro-3H-pteridin-4-one
CID 135566579
2-(methylideneamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one
CID 91156940
d6-Methylguanine
CID 129677008
d6-Ethylguanine
CID 129684450
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-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 54537290

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one?
The IUPAC name of 2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one (CID 91227454) is 2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one.
What is the SMILES notation for 2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one?
The canonical SMILES for 2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one is CNC1NC(=O)C2=NCCN=C2N1.
What is the InChIKey of 2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one?
The InChIKey is WVIQYTPRIMMFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-8-7-11-5-4(6(13)12-7)9-2-3-10-5/h7-8H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one?
2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one has a molecular weight of 181.20 g/mol, XLogP of -1.94, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one is sourced from PubChem (CID 91227454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).