7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C9H11N3O — CID 20613650

IUPAC7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)N1C(=O)Cc2cncnc21
InChIInChI=1S/C9H11N3O/c1-6(2)12-8(13)3-7-4-10-5-11-9(7)12/h4-6H,3H2,1-2H3
InChIKeyPPAUREGTMJPNEF-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.77
Rot. Bonds1

About 7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 20613650) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID20613650
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)N1C(=O)Cc2cncnc21
InChIInChI=1S/C9H11N3O/c1-6(2)12-8(13)3-7-4-10-5-11-9(7)12/h4-6H,3H2,1-2H3
InChIKeyPPAUREGTMJPNEF-UHFFFAOYSA-N
XLogP0.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 96629646
phosphoryl trichloride;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one
CID 123568124
6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one
CID 157477881
1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 154506718
5,7-dihydrocyclopenta[d]pyrimidin-6-one
CID 158368884
6-fluoro-1-propan-2-yl-3H-indol-2-one
CID 117206076
6,7-difluoro-1-propan-2-yl-3H-indol-2-one
CID 159751980
1,3-di(propan-2-yl)-1,3-diazinane-2,4,6-trione;propan-2-amine
CID 161254467
7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one
CID 89022817
3-propan-2-yltriazolo[4,5-d]pyrimidine
CID 57472339
1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
CID 176690662
1-propan-2-yl-4H-pyrido[2,3-d][1,3]oxazin-2-one
CID 59774556

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 20613650) is 7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)N1C(=O)Cc2cncnc21.
What is the InChIKey of 7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is PPAUREGTMJPNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6(2)12-8(13)3-7-4-10-5-11-9(7)12/h4-6H,3H2,1-2H3.
What are the key properties of 7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 177.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 20613650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).