2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C13H15N5O — CID 25190892

IUPAC2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCC1CNC(=O)c2cc(-c3ccnc(N)n3)[nH]c21
InChIInChI=1S/C13H15N5O/c1-2-7-6-16-12(19)8-5-10(17-11(7)8)9-3-4-15-13(14)18-9/h3-5,7,17H,2,6H2,1H3,(H,16,19)(H2,14,15,18)
InChIKeyUKWYEWZXFXMQQC-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.29
Rot. Bonds2

About 2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 25190892) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID25190892
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCC1CNC(=O)c2cc(-c3ccnc(N)n3)[nH]c21
InChIInChI=1S/C13H15N5O/c1-2-7-6-16-12(19)8-5-10(17-11(7)8)9-3-4-15-13(14)18-9/h3-5,7,17H,2,6H2,1H3,(H,16,19)(H2,14,15,18)
InChIKeyUKWYEWZXFXMQQC-UHFFFAOYSA-N
XLogP1.29
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

Peldesine
CID 135413525
Bay-707
CID 129012086
2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11357740
Pha-767491
CID 11715767
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
CID 16757525
(7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190896
2-[2-(Oxan-4-Ylamino)pyrimidin-4-Yl]-5-(Phenylmethyl)-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480560
Dipyridodiazepinone deriv. 42
CID 463562
2-ethyl-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470743
2-(pyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11149391
2-(9H-purin-6-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11185393
2-(2-aminopyrimidin-4-yl)-7-methyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11207259

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 25190892) is 2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CCC1CNC(=O)c2cc(-c3ccnc(N)n3)[nH]c21.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is UKWYEWZXFXMQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-7-6-16-12(19)8-5-10(17-11(7)8)9-3-4-15-13(14)18-9/h3-5,7,17H,2,6H2,1H3,(H,16,19)(H2,14,15,18).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 257.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 25190892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).