6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one

C10H13N3O — CID 110429610

IUPAC6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCn1cnc2[nH]c(C)cc2c1=O
InChIInChI=1S/C10H13N3O/c1-3-4-13-6-11-9-8(10(13)14)5-7(2)12-9/h5-6,12H,3-4H2,1-2H3
InChIKeyFBPUISWINBSVFF-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.44
Rot. Bonds2

About 6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one

6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 110429610) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID110429610
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCn1cnc2[nH]c(C)cc2c1=O
InChIInChI=1S/C10H13N3O/c1-3-4-13-6-11-9-8(10(13)14)5-7(2)12-9/h5-6,12H,3-4H2,1-2H3
InChIKeyFBPUISWINBSVFF-UHFFFAOYSA-N
XLogP1.44
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-pentyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429627
6-methyl-3-(2-thiophen-3-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 19004986
2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide
CID 110429772
3-[3-(4-chlorophenoxy)propyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429893
4-[(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]benzonitrile
CID 110429700
N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429799
N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429967
2-[[2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid
CID 110429943
3-propylquinazolin-4-one
CID 529124
5-iodo-6-methyl-3-propylpyrimidin-4-one
CID 66343113
4-oxo-3-propylquinazoline-7-carbohydrazide
CID 66485394
5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
CID 70010817

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one (CID 110429610) is 6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one is CCCn1cnc2[nH]c(C)cc2c1=O.
What is the InChIKey of 6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is FBPUISWINBSVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-4-13-6-11-9-8(10(13)14)5-7(2)12-9/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 110429610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).