2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H20N4 — CID 166704442

IUPAC2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@@H]1CN(c2ncc3c(n2)CCC3)C[C@H](C)N1
InChIInChI=1S/C13H20N4/c1-9-7-17(8-10(2)15-9)13-14-6-11-4-3-5-12(11)16-13/h6,9-10,15H,3-5,7-8H2,1-2H3/t9-,10+
InChIKeyBLWHINPFPCONFR-AOOOYVTPSA-N
MW232.33 g/mol
LogP1.15
Rot. Bonds1

About 2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 166704442) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID166704442
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@@H]1CN(c2ncc3c(n2)CCC3)C[C@H](C)N1
InChIInChI=1S/C13H20N4/c1-9-7-17(8-10(2)15-9)13-14-6-11-4-3-5-12(11)16-13/h6,9-10,15H,3-5,7-8H2,1-2H3/t9-,10+
InChIKeyBLWHINPFPCONFR-AOOOYVTPSA-N
XLogP1.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 166704442) is 2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is C[C@@H]1CN(c2ncc3c(n2)CCC3)C[C@H](C)N1.
What is the InChIKey of 2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is BLWHINPFPCONFR-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H20N4/c1-9-7-17(8-10(2)15-9)13-14-6-11-4-3-5-12(11)16-13/h6,9-10,15H,3-5,7-8H2,1-2H3/t9-,10+.
What are the key properties of 2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 232.33 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 166704442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).