6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine

C16H26N4 — CID 115563096

IUPAC6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CC3CCCC3C2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H26N4/c1-16(2,3)15-18-13(17-4)8-14(19-15)20-9-11-6-5-7-12(11)10-20/h8,11-12H,5-7,9-10H2,1-4H3,(H,17,18,19)
InChIKeyUPQVJJMXZBXPKJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.05
Rot. Bonds2

About 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine

6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine (PubChem CID 115563096) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine
PubChem CID115563096
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CC3CCCC3C2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H26N4/c1-16(2,3)15-18-13(17-4)8-14(19-15)20-9-11-6-5-7-12(11)10-20/h8,11-12H,5-7,9-10H2,1-4H3,(H,17,18,19)
InChIKeyUPQVJJMXZBXPKJ-UHFFFAOYSA-N
XLogP3.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine (CID 115563096) is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine is CNc1cc(N2CC3CCCC3C2)nc(C(C)(C)C)n1.
What is the InChIKey of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine?
The InChIKey is UPQVJJMXZBXPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-16(2,3)15-18-13(17-4)8-14(19-15)20-9-11-6-5-7-12(11)10-20/h8,11-12H,5-7,9-10H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine?
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115563096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).