6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione

C14H22N4S — CID 106481798

IUPAC6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
SMILESCN1CCN(c2nc(=S)cc(C3CCCC3)[nH]2)CC1
InChIInChI=1S/C14H22N4S/c1-17-6-8-18(9-7-17)14-15-12(10-13(19)16-14)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,15,16,19)
InChIKeyWMQZPRJOTRBFIW-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.55
Rot. Bonds2

About 6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione

6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione (PubChem CID 106481798) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
PubChem CID106481798
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
SMILESCN1CCN(c2nc(=S)cc(C3CCCC3)[nH]2)CC1
InChIInChI=1S/C14H22N4S/c1-17-6-8-18(9-7-17)14-15-12(10-13(19)16-14)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,15,16,19)
InChIKeyWMQZPRJOTRBFIW-UHFFFAOYSA-N
XLogP2.55
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione with MolForge

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Related Compounds

6-(1-Methylpiperidin-4-yl)-1,4-dihydropyrimidin-2-amine
CID 118303286
2-(4-methylpiperazin-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475046
2-piperidin-1-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475071
2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475327
6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106478338
2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481268
6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106481296
6-cyclopentyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106481799
2-(azepan-1-yl)-6-cyclopentyl-1H-pyrimidine-4-thione
CID 106481827
6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione
CID 106481828
6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106481829
6-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidine-4-thione
CID 106481886

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione (CID 106481798) is 6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione is CN1CCN(c2nc(=S)cc(C3CCCC3)[nH]2)CC1.
What is the InChIKey of 6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The InChIKey is WMQZPRJOTRBFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-17-6-8-18(9-7-17)14-15-12(10-13(19)16-14)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,15,16,19).
What are the key properties of 6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione has a molecular weight of 278.42 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).