2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C15H17N5O — CID 23585244

IUPAC2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c(n2CC2CC2)CCNC3=O)n1
InChIInChI=1S/C15H17N5O/c16-15-18-5-3-11(19-15)13-7-10-12(4-6-17-14(10)21)20(13)8-9-1-2-9/h3,5,7,9H,1-2,4,6,8H2,(H,17,21)(H2,16,18,19)
InChIKeyXDUNEAMYSSDEJY-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.22
Rot. Bonds3

About 2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 23585244) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID23585244
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c(n2CC2CC2)CCNC3=O)n1
InChIInChI=1S/C15H17N5O/c16-15-18-5-3-11(19-15)13-7-10-12(4-6-17-14(10)21)20(13)8-9-1-2-9/h3,5,7,9H,1-2,4,6,8H2,(H,17,21)(H2,16,18,19)
InChIKeyXDUNEAMYSSDEJY-UHFFFAOYSA-N
XLogP1.22
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 23585244) is 2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Nc1nccc(-c2cc3c(n2CC2CC2)CCNC3=O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is XDUNEAMYSSDEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-15-18-5-3-11(19-15)13-7-10-12(4-6-17-14(10)21)20(13)8-9-1-2-9/h3,5,7,9H,1-2,4,6,8H2,(H,17,21)(H2,16,18,19).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 283.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23585244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).