4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine

C10H15N5 — CID 178108093

IUPAC4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(N2C[C@@H]3CNC[C@H]3C2)n1
InChIInChI=1S/C10H15N5/c11-10-13-2-1-9(14-10)15-5-7-3-12-4-8(7)6-15/h1-2,7-8,12H,3-6H2,(H2,11,13,14)/t7-,8-/m0/s1
InChIKeyCLRILWMLUIEBSV-YUMQZZPRSA-N
MW205.26 g/mol
LogP-0.29
Rot. Bonds1

About 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine

4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine (PubChem CID 178108093) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine
PubChem CID178108093
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(N2C[C@@H]3CNC[C@H]3C2)n1
InChIInChI=1S/C10H15N5/c11-10-13-2-1-9(14-10)15-5-7-3-12-4-8(7)6-15/h1-2,7-8,12H,3-6H2,(H2,11,13,14)/t7-,8-/m0/s1
InChIKeyCLRILWMLUIEBSV-YUMQZZPRSA-N
XLogP-0.29
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine with MolForge

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Related Compounds

4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine
CID 59631605
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
4-(2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-amine
CID 59631623
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 178108022
4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine
CID 103541763
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]quinoxaline
CID 114042518
[1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 156607349
4-[3-(dimethylamino)piperidin-1-yl]pyrimidin-2-amine
CID 80856327
4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80845282

Frequently Asked Questions

What is the IUPAC name of 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine (CID 178108093) is 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine is Nc1nccc(N2C[C@@H]3CNC[C@H]3C2)n1.
What is the InChIKey of 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine?
The InChIKey is CLRILWMLUIEBSV-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H15N5/c11-10-13-2-1-9(14-10)15-5-7-3-12-4-8(7)6-15/h1-2,7-8,12H,3-6H2,(H2,11,13,14)/t7-,8-/m0/s1.
What are the key properties of 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine?
4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine has a molecular weight of 205.26 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 178108093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).