2,5-dimethyl-3,8-dihydropteridin-4-one

C8H10N4O — CID 137192404

IUPAC2,5-dimethyl-3,8-dihydropteridin-4-one
SMILESCc1nc2c(c(=O)[nH]1)N(C)C=CN2
InChIInChI=1S/C8H10N4O/c1-5-10-7-6(8(13)11-5)12(2)4-3-9-7/h3-4H,1-2H3,(H2,9,10,11,13)
InChIKeyDSIPDUBYNSIUMB-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.41
Rot. Bonds

About 2,5-dimethyl-3,8-dihydropteridin-4-one

2,5-dimethyl-3,8-dihydropteridin-4-one (PubChem CID 137192404) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,5-dimethyl-3,8-dihydropteridin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-3,8-dihydropteridin-4-one
PubChem CID137192404
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2,5-dimethyl-3,8-dihydropteridin-4-one
SMILESCc1nc2c(c(=O)[nH]1)N(C)C=CN2
InChIInChI=1S/C8H10N4O/c1-5-10-7-6(8(13)11-5)12(2)4-3-9-7/h3-4H,1-2H3,(H2,9,10,11,13)
InChIKeyDSIPDUBYNSIUMB-UHFFFAOYSA-N
XLogP0.41
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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6-Amino-5-(4-cyano-1-piperazinyl)-2-methyl-4-pyrimidinol
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6-Amino-5-(4-(aminomethyl)-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135450418
6-(beta-Dimethylamino) vinyl-4-pyrimidinone
CID 129871302
Pteridine-4,6(3H,5H)-dione, 7,8-dihydro-2,7-dimethyl-
CID 135703341
5-(dimethylamino)-2-methyl-1H-pyrimidin-6-one
CID 57597120
7-Methyl-4,8-dihydropyrazino[1,2-a]pyrimidin-9-one
CID 59652153
N-ethyl-2-[2-methyl-5-(methylamino)-6-oxopyrimidin-1-yl]acetamide
CID 60084806
2-(7,8a-dihydro-3H-pteridin-8-yl)-N-ethylacetamide
CID 68572777
2-methyl-5-(methylamino)-1H-pyrimidin-6-one
CID 83872302
2-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136316491

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,8-dihydropteridin-4-one?
The IUPAC name of 2,5-dimethyl-3,8-dihydropteridin-4-one (CID 137192404) is 2,5-dimethyl-3,8-dihydropteridin-4-one.
What is the SMILES notation for 2,5-dimethyl-3,8-dihydropteridin-4-one?
The canonical SMILES for 2,5-dimethyl-3,8-dihydropteridin-4-one is Cc1nc2c(c(=O)[nH]1)N(C)C=CN2.
What is the InChIKey of 2,5-dimethyl-3,8-dihydropteridin-4-one?
The InChIKey is DSIPDUBYNSIUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-10-7-6(8(13)11-5)12(2)4-3-9-7/h3-4H,1-2H3,(H2,9,10,11,13).
What are the key properties of 2,5-dimethyl-3,8-dihydropteridin-4-one?
2,5-dimethyl-3,8-dihydropteridin-4-one has a molecular weight of 178.19 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,8-dihydropteridin-4-one is sourced from PubChem (CID 137192404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).