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

C14H22N6 — CID 67157420

IUPAC6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine
SMILESCN1C[C@@H]2CN(c3nc(N)nc(N)c3C3CC3)C[C@@H]2C1
InChIInChI=1S/C14H22N6/c1-19-4-9-6-20(7-10(9)5-19)13-11(8-2-3-8)12(15)17-14(16)18-13/h8-10H,2-7H2,1H3,(H4,15,16,17,18)/t9-,10+
InChIKeyXTRKCIKGAMFAOO-AOOOYVTPSA-N
MW274.37 g/mol
LogP0.52
Rot. Bonds2

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

6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine (PubChem CID 67157420) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine
PubChem CID67157420
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine
SMILESCN1C[C@@H]2CN(c3nc(N)nc(N)c3C3CC3)C[C@@H]2C1
InChIInChI=1S/C14H22N6/c1-19-4-9-6-20(7-10(9)5-19)13-11(8-2-3-8)12(15)17-14(16)18-13/h8-10H,2-7H2,1H3,(H4,15,16,17,18)/t9-,10+
InChIKeyXTRKCIKGAMFAOO-AOOOYVTPSA-N
XLogP0.52
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine?
The IUPAC name of 6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine (CID 67157420) is 6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine is CN1C[C@@H]2CN(c3nc(N)nc(N)c3C3CC3)C[C@@H]2C1.
What is the InChIKey of 6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine?
The InChIKey is XTRKCIKGAMFAOO-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H22N6/c1-19-4-9-6-20(7-10(9)5-19)13-11(8-2-3-8)12(15)17-14(16)18-13/h8-10H,2-7H2,1H3,(H4,15,16,17,18)/t9-,10+.
What are the key properties of 6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine?
6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-cyclopropylpyrimidine-2,4-diamine is sourced from PubChem (CID 67157420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).