6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine

C14H24N6 — CID 67156818

IUPAC6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)c1c(N)nc(N)nc1N1C[C@H]2CN(C)C[C@H]2C1
InChIInChI=1S/C14H24N6/c1-8(2)11-12(15)17-14(16)18-13(11)20-6-9-4-19(3)5-10(9)7-20/h8-10H,4-7H2,1-3H3,(H4,15,16,17,18)/t9-,10+
InChIKeyDEYFXUVFSCEEEA-AOOOYVTPSA-N
MW276.39 g/mol
LogP0.76
Rot. Bonds2

About 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine

6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 67156818) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine
PubChem CID67156818
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)c1c(N)nc(N)nc1N1C[C@H]2CN(C)C[C@H]2C1
InChIInChI=1S/C14H24N6/c1-8(2)11-12(15)17-14(16)18-13(11)20-6-9-4-19(3)5-10(9)7-20/h8-10H,4-7H2,1-3H3,(H4,15,16,17,18)/t9-,10+
InChIKeyDEYFXUVFSCEEEA-AOOOYVTPSA-N
XLogP0.76
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine (CID 67156818) is 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine is CC(C)c1c(N)nc(N)nc1N1C[C@H]2CN(C)C[C@H]2C1.
What is the InChIKey of 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is DEYFXUVFSCEEEA-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H24N6/c1-8(2)11-12(15)17-14(16)18-13(11)20-6-9-4-19(3)5-10(9)7-20/h8-10H,4-7H2,1-3H3,(H4,15,16,17,18)/t9-,10+.
What are the key properties of 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine?
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 276.39 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 67156818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).