6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine

C15H26N6 — CID 150221449

IUPAC6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C2CCC2)C=C(N2CC3CCCNC3C2)N1
InChIInChI=1S/C15H26N6/c16-14-19-13(7-15(17,20-14)11-4-1-5-11)21-8-10-3-2-6-18-12(10)9-21/h7,10-12,18H,1-6,8-9,17H2,(H3,16,19,20)
InChIKeyFTOMHHASZBFDGN-UHFFFAOYSA-N
MW290.41 g/mol
LogP-0.12
Rot. Bonds2

About 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine

6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine (PubChem CID 150221449) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine
PubChem CID150221449
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C2CCC2)C=C(N2CC3CCCNC3C2)N1
InChIInChI=1S/C15H26N6/c16-14-19-13(7-15(17,20-14)11-4-1-5-11)21-8-10-3-2-6-18-12(10)9-21/h7,10-12,18H,1-6,8-9,17H2,(H3,16,19,20)
InChIKeyFTOMHHASZBFDGN-UHFFFAOYSA-N
XLogP-0.12
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine (CID 150221449) is 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine is NC1=NC(N)(C2CCC2)C=C(N2CC3CCCNC3C2)N1.
What is the InChIKey of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine?
The InChIKey is FTOMHHASZBFDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c16-14-19-13(7-15(17,20-14)11-4-1-5-11)21-8-10-3-2-6-18-12(10)9-21/h7,10-12,18H,1-6,8-9,17H2,(H3,16,19,20).
What are the key properties of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine?
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine has a molecular weight of 290.41 g/mol, XLogP of -0.12, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-cyclobutyl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150221449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).