2-amino-3H-pteridin-4-one;methanamine

C7H10N6O — CID 146301753

IUPAC2-amino-3H-pteridin-4-one;methanamine
SMILESCN.Nc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C6H5N5O.CH5N/c7-6-10-4-3(5(12)11-6)8-1-2-9-4;1-2/h1-2H,(H3,7,9,10,11,12);2H2,1H3
InChIKeyTXNGXYTWARUBOP-UHFFFAOYSA-N
MW194.20 g/mol
LogP-1.13
Rot. Bonds

About 2-amino-3H-pteridin-4-one;methanamine

2-amino-3H-pteridin-4-one;methanamine (PubChem CID 146301753) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-amino-3H-pteridin-4-one;methanamine.

Molecular Properties

Compound Name2-amino-3H-pteridin-4-one;methanamine
PubChem CID146301753
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name2-amino-3H-pteridin-4-one;methanamine
SMILESCN.Nc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C6H5N5O.CH5N/c7-6-10-4-3(5(12)11-6)8-1-2-9-4;1-2/h1-2H,(H3,7,9,10,11,12);2H2,1H3
InChIKeyTXNGXYTWARUBOP-UHFFFAOYSA-N
XLogP-1.13
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3H-pteridin-4-one;azane
CID 174295951
CID 172754985
CID 172754985
2-amino-4-oxo-3H-pteridine-6-carbaldehyde
CID 135409352
2-(propylamino)-3H-pteridin-4-one
CID 141118544
2-pyridin-4-yl-3H-pteridin-4-one
CID 135932000
2-amino-3H-pteridin-4-one;1,12-dimethyl-1,2,11,12-tetrahydrochrysene
CID 174680248
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride
CID 174866452
8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione
CID 135414250
2-piperidin-1-yl-3H-pteridin-4-one
CID 137198974
2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one
CID 137234292
2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one
CID 141246883
2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid
CID 175444308

Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-pteridin-4-one;methanamine?
The IUPAC name of 2-amino-3H-pteridin-4-one;methanamine (CID 146301753) is 2-amino-3H-pteridin-4-one;methanamine.
What is the SMILES notation for 2-amino-3H-pteridin-4-one;methanamine?
The canonical SMILES for 2-amino-3H-pteridin-4-one;methanamine is CN.Nc1nc2nccnc2c(=O)[nH]1.
What is the InChIKey of 2-amino-3H-pteridin-4-one;methanamine?
The InChIKey is TXNGXYTWARUBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O.CH5N/c7-6-10-4-3(5(12)11-6)8-1-2-9-4;1-2/h1-2H,(H3,7,9,10,11,12);2H2,1H3.
What are the key properties of 2-amino-3H-pteridin-4-one;methanamine?
2-amino-3H-pteridin-4-one;methanamine has a molecular weight of 194.20 g/mol, XLogP of -1.13, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3H-pteridin-4-one;methanamine is sourced from PubChem (CID 146301753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).