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

C14H24N6 — CID 24746164

IUPAC6-[(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
SMILESCC(C)Nc1cc(N2C[C@@H]3CCCN[C@@H]3C2)nc(N)n1
InChIInChI=1S/C14H24N6/c1-9(2)17-12-6-13(19-14(15)18-12)20-7-10-4-3-5-16-11(10)8-20/h6,9-11,16H,3-5,7-8H2,1-2H3,(H3,15,17,18,19)/t10-,11+/m0/s1
InChIKeySLGOSOYOAQOHGH-WDEREUQCSA-N
MW276.39 g/mol
LogP1.07
Rot. Bonds3

About 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

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 (PubChem CID 24746164) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID24746164
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name6-[(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
SMILESCC(C)Nc1cc(N2C[C@@H]3CCCN[C@@H]3C2)nc(N)n1
InChIInChI=1S/C14H24N6/c1-9(2)17-12-6-13(19-14(15)18-12)20-7-10-4-3-5-16-11(10)8-20/h6,9-11,16H,3-5,7-8H2,1-2H3,(H3,15,17,18,19)/t10-,11+/m0/s1
InChIKeySLGOSOYOAQOHGH-WDEREUQCSA-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-[(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 with MolForge

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Related Compounds

6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 91210228
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
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
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-propan-2-ylpyrimidin-2-amine
CID 59777359
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-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-cyclohexylpyrimidin-2-amine
CID 53257801
6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 91475339
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)pyrimidin-2-amine
CID 175534983
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-[(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
6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 54585780

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Nc1cc(N2C[C@@H]3CCCN[C@@H]3C2)nc(N)n1.
What is the InChIKey of 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?
The InChIKey is SLGOSOYOAQOHGH-WDEREUQCSA-N. The full InChI is InChI=1S/C14H24N6/c1-9(2)17-12-6-13(19-14(15)18-12)20-7-10-4-3-5-16-11(10)8-20/h6,9-11,16H,3-5,7-8H2,1-2H3,(H3,15,17,18,19)/t10-,11+/m0/s1.
What are the key properties of 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?
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 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-[(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 is sourced from PubChem (CID 24746164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).