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

C12H18N4S — CID 106478338

IUPAC6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
SMILESCN1CCN(c2nc(=S)cc(C3CC3)[nH]2)CC1
InChIInChI=1S/C12H18N4S/c1-15-4-6-16(7-5-15)12-13-10(9-2-3-9)8-11(17)14-12/h8-9H,2-7H2,1H3,(H,13,14,17)
InChIKeyPVXWBUDTBBYJEY-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.77
Rot. Bonds2

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

6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione (PubChem CID 106478338) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
PubChem CID106478338
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
SMILESCN1CCN(c2nc(=S)cc(C3CC3)[nH]2)CC1
InChIInChI=1S/C12H18N4S/c1-15-4-6-16(7-5-15)12-13-10(9-2-3-9)8-11(17)14-12/h8-9H,2-7H2,1H3,(H,13,14,17)
InChIKeyPVXWBUDTBBYJEY-UHFFFAOYSA-N
XLogP1.77
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475190
2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475327
2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475443
6-tert-butyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106475804
6-ethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476055
6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476082
5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476824
6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477832
6-ethyl-5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106478085
6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione
CID 106478361

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione (CID 106478338) is 6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione is CN1CCN(c2nc(=S)cc(C3CC3)[nH]2)CC1.
What is the InChIKey of 6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
The InChIKey is PVXWBUDTBBYJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-15-4-6-16(7-5-15)12-13-10(9-2-3-9)8-11(17)14-12/h8-9H,2-7H2,1H3,(H,13,14,17).
What are the key properties of 6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione?
6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione has a molecular weight of 250.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).