(5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride

C13H22Cl2N4 — CID 67339039

IUPAC(5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
SMILESC[C@@H]1CCc2ncnc(N3CCNC[C@@H]3C)c21.Cl.Cl
InChIInChI=1S/C13H20N4.2ClH/c1-9-3-4-11-12(9)13(16-8-15-11)17-6-5-14-7-10(17)2;;/h8-10,14H,3-7H2,1-2H3;2*1H/t9-,10+;;/m1../s1
InChIKeyFSQNAEWDWPDRQI-NKRBYZSKSA-N
MW305.25 g/mol
LogP2.17
Rot. Bonds1

About (5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride

(5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride (PubChem CID 67339039) has the molecular formula C13H22Cl2N4 and a molecular weight of 305.25 g/mol. Its IUPAC name is (5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name(5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
PubChem CID67339039
Molecular FormulaC13H22Cl2N4
Molecular Weight305.25 g/mol
Exact Mass304.12
IUPAC Name(5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
SMILESC[C@@H]1CCc2ncnc(N3CCNC[C@@H]3C)c21.Cl.Cl
InChIInChI=1S/C13H20N4.2ClH/c1-9-3-4-11-12(9)13(16-8-15-11)17-6-5-14-7-10(17)2;;/h8-10,14H,3-7H2,1-2H3;2*1H/t9-,10+;;/m1../s1
InChIKeyFSQNAEWDWPDRQI-NKRBYZSKSA-N
XLogP2.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride?
The IUPAC name of (5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride (CID 67339039) is (5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride.
What is the SMILES notation for (5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride?
The canonical SMILES for (5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride is C[C@@H]1CCc2ncnc(N3CCNC[C@@H]3C)c21.Cl.Cl.
What is the InChIKey of (5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride?
The InChIKey is FSQNAEWDWPDRQI-NKRBYZSKSA-N. The full InChI is InChI=1S/C13H20N4.2ClH/c1-9-3-4-11-12(9)13(16-8-15-11)17-6-5-14-7-10(17)2;;/h8-10,14H,3-7H2,1-2H3;2*1H/t9-,10+;;/m1../s1.
What are the key properties of (5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride?
(5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride has a molecular weight of 305.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride is sourced from PubChem (CID 67339039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).