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

C14H17N5O — CID 11357740

IUPAC2-(2-aminopyrimidin-4-yl)-7-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)C1CNC(=O)c2cc(-c3ccnc(N)n3)[nH]c21
InChIInChI=1S/C14H17N5O/c1-7(2)9-6-17-13(20)8-5-11(18-12(8)9)10-3-4-16-14(15)19-10/h3-5,7,9,18H,6H2,1-2H3,(H,17,20)(H2,15,16,19)
InChIKeyZJHFDJUWFUBLEQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.54
Rot. Bonds2

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

2-(2-aminopyrimidin-4-yl)-7-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11357740) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-7-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-7-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11357740
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(2-aminopyrimidin-4-yl)-7-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)C1CNC(=O)c2cc(-c3ccnc(N)n3)[nH]c21
InChIInChI=1S/C14H17N5O/c1-7(2)9-6-17-13(20)8-5-11(18-12(8)9)10-3-4-16-14(15)19-10/h3-5,7,9,18H,6H2,1-2H3,(H,17,20)(H2,15,16,19)
InChIKeyZJHFDJUWFUBLEQ-UHFFFAOYSA-N
XLogP1.54
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-7-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-7-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11357740) is 2-(2-aminopyrimidin-4-yl)-7-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-7-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-7-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CC(C)C1CNC(=O)c2cc(-c3ccnc(N)n3)[nH]c21.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-7-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZJHFDJUWFUBLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-7(2)9-6-17-13(20)8-5-11(18-12(8)9)10-3-4-16-14(15)19-10/h3-5,7,9,18H,6H2,1-2H3,(H,17,20)(H2,15,16,19).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-7-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-7-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.54, 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-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11357740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).