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

C14H17N5O — CID 23585200

IUPAC2-(2-aminopyrimidin-4-yl)-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)n1c(-c2ccnc(N)n2)cc2c1CCNC2=O
InChIInChI=1S/C14H17N5O/c1-8(2)19-11-4-6-16-13(20)9(11)7-12(19)10-3-5-17-14(15)18-10/h3,5,7-8H,4,6H2,1-2H3,(H,16,20)(H2,15,17,18)
InChIKeyCNLLORRUAVZUDO-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.39
Rot. Bonds2

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

2-(2-aminopyrimidin-4-yl)-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 23585200) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID23585200
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(2-aminopyrimidin-4-yl)-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)n1c(-c2ccnc(N)n2)cc2c1CCNC2=O
InChIInChI=1S/C14H17N5O/c1-8(2)19-11-4-6-16-13(20)9(11)7-12(19)10-3-5-17-14(15)18-10/h3,5,7-8H,4,6H2,1-2H3,(H,16,20)(H2,15,17,18)
InChIKeyCNLLORRUAVZUDO-UHFFFAOYSA-N
XLogP1.39
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.39
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-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 23585200) is 2-(2-aminopyrimidin-4-yl)-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is CC(C)n1c(-c2ccnc(N)n2)cc2c1CCNC2=O.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is CNLLORRUAVZUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-8(2)19-11-4-6-16-13(20)9(11)7-12(19)10-3-5-17-14(15)18-10/h3,5,7-8H,4,6H2,1-2H3,(H,16,20)(H2,15,17,18).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.39, 2 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-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23585200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).