(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 67459798
(5R,7R)-5-methyl-4-(2-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
CID 66617782
4-(2-methylpiperazin-1-yl)quinazoline
CID 62673888
5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine
CID 66340193
1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride
CID 162079828
1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
CID 143833545
(5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 70812056
(2S)-2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 71034772
2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 94546211
[3-(4-chlorophenyl)pyrrolidin-3-yl]-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 67338553
2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole
CID 151453057
4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 98042461

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).