2-amino-4-methoxy-8-methylpteridin-7-one

C8H9N5O2 — CID 130016801

IUPAC2-amino-4-methoxy-8-methylpteridin-7-one
SMILESCOc1nc(N)nc2c1ncc(=O)n2C
InChIInChI=1S/C8H9N5O2/c1-13-4(14)3-10-5-6(13)11-8(9)12-7(5)15-2/h3H,1-2H3,(H2,9,11,12)
InChIKeyJDPOVKBMYKKAOS-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.69
Rot. Bonds1

About 2-amino-4-methoxy-8-methylpteridin-7-one

2-amino-4-methoxy-8-methylpteridin-7-one (PubChem CID 130016801) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-amino-4-methoxy-8-methylpteridin-7-one.

Molecular Properties

Compound Name2-amino-4-methoxy-8-methylpteridin-7-one
PubChem CID130016801
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-amino-4-methoxy-8-methylpteridin-7-one
SMILESCOc1nc(N)nc2c1ncc(=O)n2C
InChIInChI=1S/C8H9N5O2/c1-13-4(14)3-10-5-6(13)11-8(9)12-7(5)15-2/h3H,1-2H3,(H2,9,11,12)
InChIKeyJDPOVKBMYKKAOS-UHFFFAOYSA-N
XLogP-0.69
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Heteromine G
CID 10561164
6-Methoxy-7-methyl-8-oxoguanine
CID 10584006
Heteromine F
CID 10610035
Heteromine H
CID 10774848
2-Amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one
CID 71451068
2-amino-4-isopropoxy-6-methyl-7(8H)-pteridinone
CID 23849787
Pteridine, 2-amino-7,8-dihydro-4-isopropyloxy-6,8-dimethyl-7-oxo-
CID 121223000
Pteridine, 2-amino-6-carboxy-7,8-dihydro-4-methoxy-8-methyl-7-oxo-
CID 125508177
Pteridine, 2-amino-7-hydroxy-4-isopropyloxy-
CID 129681637
Pteridine, 2-amino-7,8-dihydro-6-hydroxy-4-isopropyloxy-8-methyl-7-oxo-
CID 171383924
Pteridine, 2-amino-7,8-dihydro-8-(2-hydroxyethyl)-4-isopropyloxy-6-methyl-7-oxo-
CID 171383937
Pteridine, 2-amino-6-ethoxycarbonyl-7,8-dihydro-4-methoxy-8-methyl-7-oxo-
CID 171384257

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-8-methylpteridin-7-one?
The IUPAC name of 2-amino-4-methoxy-8-methylpteridin-7-one (CID 130016801) is 2-amino-4-methoxy-8-methylpteridin-7-one.
What is the SMILES notation for 2-amino-4-methoxy-8-methylpteridin-7-one?
The canonical SMILES for 2-amino-4-methoxy-8-methylpteridin-7-one is COc1nc(N)nc2c1ncc(=O)n2C.
What is the InChIKey of 2-amino-4-methoxy-8-methylpteridin-7-one?
The InChIKey is JDPOVKBMYKKAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-13-4(14)3-10-5-6(13)11-8(9)12-7(5)15-2/h3H,1-2H3,(H2,9,11,12).
What are the key properties of 2-amino-4-methoxy-8-methylpteridin-7-one?
2-amino-4-methoxy-8-methylpteridin-7-one has a molecular weight of 207.19 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-8-methylpteridin-7-one is sourced from PubChem (CID 130016801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).