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

C15H19N5O — CID 11483025

IUPAC2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)CNc1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C15H19N5O/c1-9(2)8-18-15-17-6-4-12(20-15)13-7-10-11(19-13)3-5-16-14(10)21/h4,6-7,9,19H,3,5,8H2,1-2H3,(H,16,21)(H,17,18,20)
InChIKeyCZHPLAXUABYICD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.83
Rot. Bonds4

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

2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11483025) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11483025
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)CNc1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C15H19N5O/c1-9(2)8-18-15-17-6-4-12(20-15)13-7-10-11(19-13)3-5-16-14(10)21/h4,6-7,9,19H,3,5,8H2,1-2H3,(H,16,21)(H,17,18,20)
InChIKeyCZHPLAXUABYICD-UHFFFAOYSA-N
XLogP1.83
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11483025) is 2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CC(C)CNc1nccc(-c2cc3c([nH]2)CCNC3=O)n1.
What is the InChIKey of 2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is CZHPLAXUABYICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9(2)8-18-15-17-6-4-12(20-15)13-7-10-11(19-13)3-5-16-14(10)21/h4,6-7,9,19H,3,5,8H2,1-2H3,(H,16,21)(H,17,18,20).
What are the key properties of 2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 285.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11483025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).