2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one

C7H9N5O — CID 135420615

IUPAC2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one
SMILESCC1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C7H9N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H2,1H3,(H4,8,9,11,12,13)
InChIKeyZGSZMKMOKGLFHK-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.13
Rot. Bonds

About 2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one

2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one (PubChem CID 135420615) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one
PubChem CID135420615
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one
SMILESCC1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C7H9N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H2,1H3,(H4,8,9,11,12,13)
InChIKeyZGSZMKMOKGLFHK-UHFFFAOYSA-N
XLogP-0.13
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-methyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 161411799
2-amino-6-[(1R,2S)-1,2,3-trihydroxy(1,2,3-13C3)propyl]-7,8-dihydro-3H-pteridin-4-one
CID 136679454
4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoate
CID 135476773
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135452518
4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]-N-(1-oxopentan-2-yl)benzamide
CID 136628232
N-(4-amino-4-oxobutyl)-4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzamide
CID 137062203
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135445757
2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one
CID 163124560
2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
CID 150908321
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
CID 135905258
2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
CID 174459079
2-amino-6-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136785640

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one (CID 135420615) is 2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one is CC1=Nc2c(nc(N)[nH]c2=O)NC1.
What is the InChIKey of 2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one?
The InChIKey is ZGSZMKMOKGLFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H2,1H3,(H4,8,9,11,12,13).
What are the key properties of 2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one?
2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one has a molecular weight of 179.18 g/mol, XLogP of -0.13, 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-7,8-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 135420615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).