6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione

C13H22N4S — CID 106477832

IUPAC6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCN(C)CC2)nc(=S)c1C(C)C
InChIInChI=1S/C13H22N4S/c1-9(2)11-10(3)14-13(15-12(11)18)17-7-5-16(4)6-8-17/h9H,5-8H2,1-4H3,(H,14,15,18)
InChIKeyHAPSEHATUXVGDX-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.32
Rot. Bonds2

About 6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione

6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106477832) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106477832
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCN(C)CC2)nc(=S)c1C(C)C
InChIInChI=1S/C13H22N4S/c1-9(2)11-10(3)14-13(15-12(11)18)17-7-5-16(4)6-8-17/h9H,5-8H2,1-4H3,(H,14,15,18)
InChIKeyHAPSEHATUXVGDX-UHFFFAOYSA-N
XLogP2.32
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.32
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-Amino-3-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-thione
CID 139494686
2-(4-methylpiperazin-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475046
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
5,6-dimethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476577
5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476824
5-ethyl-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476846
2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476970
2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477080
2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477859
6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477860
2-(1,4-dimethylpiperazin-2-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477920

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106477832) is 6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione is Cc1[nH]c(N2CCN(C)CC2)nc(=S)c1C(C)C.
What is the InChIKey of 6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is HAPSEHATUXVGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-9(2)11-10(3)14-13(15-12(11)18)17-7-5-16(4)6-8-17/h9H,5-8H2,1-4H3,(H,14,15,18).
What are the key properties of 6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione?
6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 266.41 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).