5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one

C11H16N4O — CID 170237991

IUPAC5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCNc1nc2c(c(C)cn2C)c(=O)[nH]1
InChIInChI=1S/C11H16N4O/c1-4-5-12-11-13-9-8(10(16)14-11)7(2)6-15(9)3/h6H,4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeyJMZKNWBRSRVONS-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.39
Rot. Bonds3

About 5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one

5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 170237991) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID170237991
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCNc1nc2c(c(C)cn2C)c(=O)[nH]1
InChIInChI=1S/C11H16N4O/c1-4-5-12-11-13-9-8(10(16)14-11)7(2)6-15(9)3/h6H,4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeyJMZKNWBRSRVONS-UHFFFAOYSA-N
XLogP1.39
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 170237991) is 5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one is CCCNc1nc2c(c(C)cn2C)c(=O)[nH]1.
What is the InChIKey of 5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is JMZKNWBRSRVONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-4-5-12-11-13-9-8(10(16)14-11)7(2)6-15(9)3/h6H,4-5H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 220.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 170237991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).