2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C7H7N3O — CID 135500331

IUPAC2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2[nH]ccc2c(=O)[nH]1
InChIInChI=1S/C7H7N3O/c1-4-9-6-5(2-3-8-6)7(11)10-4/h2-3H,1H3,(H2,8,9,10,11)
InChIKeyZFUQHMCXUYLASE-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.56
Rot. Bonds

About 2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135500331) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135500331
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2[nH]ccc2c(=O)[nH]1
InChIInChI=1S/C7H7N3O/c1-4-9-6-5(2-3-8-6)7(11)10-4/h2-3H,1H3,(H2,8,9,10,11)
InChIKeyZFUQHMCXUYLASE-UHFFFAOYSA-N
XLogP0.56
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11819216
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CID 135408689
CID 135408689
CID 4091939
CID 4091939
CID 135520243
CID 135520243
CID 135433723
CID 135433723
CID 96548
CID 96548
CID 135492350
CID 135492350
CID 135512730
CID 135512730
CID 135478869
CID 135478869

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135500331) is 2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1nc2[nH]ccc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is ZFUQHMCXUYLASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-4-9-6-5(2-3-8-6)7(11)10-4/h2-3H,1H3,(H2,8,9,10,11).
What are the key properties of 2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 149.15 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135500331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).