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

C8H12N4O — CID 143129766

IUPAC2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one
SMILESCc1nc2c(c(=O)n1C)NCCN2
InChIInChI=1S/C8H12N4O/c1-5-11-7-6(8(13)12(5)2)9-3-4-10-7/h9-10H,3-4H2,1-2H3
InChIKeyQPTHPVOVLDIBDZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.07
Rot. Bonds

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

2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one (PubChem CID 143129766) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one
PubChem CID143129766
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one
SMILESCc1nc2c(c(=O)n1C)NCCN2
InChIInChI=1S/C8H12N4O/c1-5-11-7-6(8(13)12(5)2)9-3-4-10-7/h9-10H,3-4H2,1-2H3
InChIKeyQPTHPVOVLDIBDZ-UHFFFAOYSA-N
XLogP-0.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one?
The IUPAC name of 2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one (CID 143129766) is 2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one.
What is the SMILES notation for 2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one?
The canonical SMILES for 2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one is Cc1nc2c(c(=O)n1C)NCCN2.
What is the InChIKey of 2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one?
The InChIKey is QPTHPVOVLDIBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5-11-7-6(8(13)12(5)2)9-3-4-10-7/h9-10H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one?
2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one has a molecular weight of 180.21 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,6,7,8-tetrahydropteridin-4-one is sourced from PubChem (CID 143129766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).