6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine

C13H22N6 — CID 91210228

IUPAC6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(N2CC3CCCNC3C2)nc(N)n1
InChIInChI=1S/C13H22N6/c1-2-15-11-6-12(18-13(14)17-11)19-7-9-4-3-5-16-10(9)8-19/h6,9-10,16H,2-5,7-8H2,1H3,(H3,14,15,17,18)
InChIKeyRJUUUGNNQBZFTO-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.68
Rot. Bonds3

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

6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 91210228) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine
PubChem CID91210228
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(N2CC3CCCNC3C2)nc(N)n1
InChIInChI=1S/C13H22N6/c1-2-15-11-6-12(18-13(14)17-11)19-7-9-4-3-5-16-10(9)8-19/h6,9-10,16H,2-5,7-8H2,1H3,(H3,14,15,17,18)
InChIKeyRJUUUGNNQBZFTO-UHFFFAOYSA-N
XLogP0.68
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 24746164
4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-tert-butylpyrimidin-2-amine
CID 126619316
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-propan-2-ylpyrimidin-2-amine
CID 59777359
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine
CID 115563060
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-cyclohexylpyrimidin-2-amine
CID 53257801
6-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 67156354
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
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(3-fluorophenyl)pyrimidin-2-amine
CID 11347519
4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
CID 80847307
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-N-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine
CID 156717756
4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine
CID 166266865
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(3-methoxyphenyl)pyrimidin-2-amine;trihydrochloride
CID 66741007

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-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine (CID 91210228) is 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-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-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine is CCNc1cc(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-N-ethylpyrimidine-2,4-diamine?
The InChIKey is RJUUUGNNQBZFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-2-15-11-6-12(18-13(14)17-11)19-7-9-4-3-5-16-10(9)8-19/h6,9-10,16H,2-5,7-8H2,1H3,(H3,14,15,17,18).
What are the key properties of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine?
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 262.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 91210228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).