2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione

C15H26N4S — CID 106478000

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(CC2CN(C)CCN2C)nc(=S)c1C(C)C
InChIInChI=1S/C15H26N4S/c1-10(2)14-11(3)16-13(17-15(14)20)8-12-9-18(4)6-7-19(12)5/h10,12H,6-9H2,1-5H3,(H,16,17,20)
InChIKeyQDCVEZUQPDDABU-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.36
Rot. Bonds3

About 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione

2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106478000) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106478000
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(CC2CN(C)CCN2C)nc(=S)c1C(C)C
InChIInChI=1S/C15H26N4S/c1-10(2)14-11(3)16-13(17-15(14)20)8-12-9-18(4)6-7-19(12)5/h10,12H,6-9H2,1-5H3,(H,16,17,20)
InChIKeyQDCVEZUQPDDABU-UHFFFAOYSA-N
XLogP2.36
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.36
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-[(1,4-dimethylpiperazin-2-yl)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481707
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480675
2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine
CID 115415877
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine
CID 115415878
5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one
CID 137011850
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propyl-1H-pyrimidin-6-one
CID 137011840
2-(butan-2-ylsulfanylmethyl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106478071
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137011861
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 137011848
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 115415776
3-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64863566
4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115414370

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106478000) is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is Cc1[nH]c(CC2CN(C)CCN2C)nc(=S)c1C(C)C.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is QDCVEZUQPDDABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-10(2)14-11(3)16-13(17-15(14)20)8-12-9-18(4)6-7-19(12)5/h10,12H,6-9H2,1-5H3,(H,16,17,20).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 294.47 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).