ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine

C14H26N4S — CID 167450441

IUPACethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine
SMILESCC.CC(C)Sc1cnc(N2CCNCC2C)nc1
InChIInChI=1S/C12H20N4S.C2H6/c1-9(2)17-11-7-14-12(15-8-11)16-5-4-13-6-10(16)3;1-2/h7-10,13H,4-6H2,1-3H3;1-2H3
InChIKeyRXVLOPDQMAKZFA-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.80
Rot. Bonds3

About ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine

ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine (PubChem CID 167450441) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Nameethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine
PubChem CID167450441
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Nameethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine
SMILESCC.CC(C)Sc1cnc(N2CCNCC2C)nc1
InChIInChI=1S/C12H20N4S.C2H6/c1-9(2)17-11-7-14-12(15-8-11)16-5-4-13-6-10(16)3;1-2/h7-10,13H,4-6H2,1-3H3;1-2H3
InChIKeyRXVLOPDQMAKZFA-UHFFFAOYSA-N
XLogP2.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpiperazin-1-yl)pyrimidin-5-ol
CID 67037782
5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 116976419
5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 89340460
2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride
CID 167442340
2-(2-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine;hydrochloride
CID 175390349
5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine
CID 166010053
4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 86329330
2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
CID 18186773
2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole
CID 151453057
3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 70649668
4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
CID 112635446
(2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119473409

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine?
The IUPAC name of ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine (CID 167450441) is ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine.
What is the SMILES notation for ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine?
The canonical SMILES for ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine is CC.CC(C)Sc1cnc(N2CCNCC2C)nc1.
What is the InChIKey of ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine?
The InChIKey is RXVLOPDQMAKZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S.C2H6/c1-9(2)17-11-7-14-12(15-8-11)16-5-4-13-6-10(16)3;1-2/h7-10,13H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine?
ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine has a molecular weight of 282.46 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine is sourced from PubChem (CID 167450441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).