6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine

C14H24N6 — CID 58940612

IUPAC6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(N2CCC3NCCC3C2)nc(N)n1
InChIInChI=1S/C14H24N6/c1-9(2)17-12-7-13(19-14(15)18-12)20-6-4-11-10(8-20)3-5-16-11/h7,9-11,16H,3-6,8H2,1-2H3,(H3,15,17,18,19)
InChIKeyBEXSEOJFHIJLBO-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.07
Rot. Bonds3

About 6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine

6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 58940612) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID58940612
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(N2CCC3NCCC3C2)nc(N)n1
InChIInChI=1S/C14H24N6/c1-9(2)17-12-7-13(19-14(15)18-12)20-6-4-11-10(8-20)3-5-16-11/h7,9-11,16H,3-6,8H2,1-2H3,(H3,15,17,18,19)
InChIKeyBEXSEOJFHIJLBO-UHFFFAOYSA-N
XLogP1.07
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 58940612) is 6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1cc(N2CCC3NCCC3C2)nc(N)n1.
What is the InChIKey of 6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is BEXSEOJFHIJLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-9(2)17-12-7-13(19-14(15)18-12)20-6-4-11-10(8-20)3-5-16-11/h7,9-11,16H,3-6,8H2,1-2H3,(H3,15,17,18,19).
What are the key properties of 6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 276.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 58940612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).