2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one

C8H13N5O — CID 136653128

IUPAC2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one
SMILESCC1CNc2c(nc(N)[nH]c2=O)N1C
InChIInChI=1S/C8H13N5O/c1-4-3-10-5-6(13(4)2)11-8(9)12-7(5)14/h4,10H,3H2,1-2H3,(H3,9,11,12,14)
InChIKeyZTMJQYDMBXCNTL-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.40
Rot. Bonds

About 2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one

2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one (PubChem CID 136653128) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one
PubChem CID136653128
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one
SMILESCC1CNc2c(nc(N)[nH]c2=O)N1C
InChIInChI=1S/C8H13N5O/c1-4-3-10-5-6(13(4)2)11-8(9)12-7(5)14/h4,10H,3H2,1-2H3,(H3,9,11,12,14)
InChIKeyZTMJQYDMBXCNTL-UHFFFAOYSA-N
XLogP-0.40
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one (CID 136653128) is 2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one is CC1CNc2c(nc(N)[nH]c2=O)N1C.
What is the InChIKey of 2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one?
The InChIKey is ZTMJQYDMBXCNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-4-3-10-5-6(13(4)2)11-8(9)12-7(5)14/h4,10H,3H2,1-2H3,(H3,9,11,12,14).
What are the key properties of 2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one?
2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one has a molecular weight of 195.23 g/mol, XLogP of -0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,8-dimethyl-3,5,6,7-tetrahydropteridin-4-one is sourced from PubChem (CID 136653128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).