6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one

C10H13N3O — CID 122543793

IUPAC6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1cc2cn(C(C)C)c(=O)nc2[nH]1
InChIInChI=1S/C10H13N3O/c1-6(2)13-5-8-4-7(3)11-9(8)12-10(13)14/h4-6H,1-3H3,(H,11,12,14)
InChIKeyUCHKXYCXGINGFR-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.61
Rot. Bonds1

About 6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one

6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 122543793) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID122543793
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1cc2cn(C(C)C)c(=O)nc2[nH]1
InChIInChI=1S/C10H13N3O/c1-6(2)13-5-8-4-7(3)11-9(8)12-10(13)14/h4-6H,1-3H3,(H,11,12,14)
InChIKeyUCHKXYCXGINGFR-UHFFFAOYSA-N
XLogP1.61
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 122543793) is 6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one is Cc1cc2cn(C(C)C)c(=O)nc2[nH]1.
What is the InChIKey of 6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is UCHKXYCXGINGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6(2)13-5-8-4-7(3)11-9(8)12-10(13)14/h4-6H,1-3H3,(H,11,12,14).
What are the key properties of 6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 122543793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).