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

C13H24N6 — CID 150221195

IUPAC6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-ethyl-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(N2CC3CCCNC3C2)NC(N)=N1
InChIInChI=1S/C13H24N6/c1-2-13(15)6-11(17-12(14)18-13)19-7-9-4-3-5-16-10(9)8-19/h6,9-10,16H,2-5,7-8,15H2,1H3,(H3,14,17,18)
InChIKeyFTNDTOVEWQUVMZ-UHFFFAOYSA-N
MW264.38 g/mol
LogP-0.51
Rot. Bonds2

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

6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-ethyl-1H-pyrimidine-2,4-diamine (PubChem CID 150221195) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-ethyl-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-ethyl-1H-pyrimidine-2,4-diamine
PubChem CID150221195
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-ethyl-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(N2CC3CCCNC3C2)NC(N)=N1
InChIInChI=1S/C13H24N6/c1-2-13(15)6-11(17-12(14)18-13)19-7-9-4-3-5-16-10(9)8-19/h6,9-10,16H,2-5,7-8,15H2,1H3,(H3,14,17,18)
InChIKeyFTNDTOVEWQUVMZ-UHFFFAOYSA-N
XLogP-0.51
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 5-0.51
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-ethyl-1H-pyrimidine-2,4-diamine with MolForge

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Related Compounds

CID 126619321
CID 126619321
CID 143492542
CID 143492542
CID 143492551
CID 143492551
CID 143492554
CID 143492554
CID 143492577
CID 143492577
CID 149791033
CID 149791033
CID 149922505
CID 149922505
CID 149922506
CID 149922506
CID 150221448
CID 150221448
CID 150221449
CID 150221449
CID 150390182
CID 150390182
CID 150390183
CID 150390183

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-ethyl-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-ethyl-1H-pyrimidine-2,4-diamine (CID 150221195) is 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-ethyl-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-ethyl-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-ethyl-1H-pyrimidine-2,4-diamine is CCC1(N)C=C(N2CC3CCCNC3C2)NC(N)=N1.
What is the InChIKey of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-ethyl-1H-pyrimidine-2,4-diamine?
The InChIKey is FTNDTOVEWQUVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-2-13(15)6-11(17-12(14)18-13)19-7-9-4-3-5-16-10(9)8-19/h6,9-10,16H,2-5,7-8,15H2,1H3,(H3,14,17,18).
What are the key properties of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-ethyl-1H-pyrimidine-2,4-diamine?
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-ethyl-1H-pyrimidine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of -0.51, 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-ethyl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150221195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).