2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine

C14H20N4S2 — CID 24885305

IUPAC2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(N3CCNCC3)nc(SC)nc2s1
InChIInChI=1S/C14H20N4S2/c1-3-4-10-9-11-12(18-7-5-15-6-8-18)16-14(19-2)17-13(11)20-10/h9,15H,3-8H2,1-2H3
InChIKeyZOBRIBUYMNABFA-UHFFFAOYSA-N
MW308.48 g/mol
LogP2.78
Rot. Bonds4

About 2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine

2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine (PubChem CID 24885305) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is 2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine
PubChem CID24885305
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC Name2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(N3CCNCC3)nc(SC)nc2s1
InChIInChI=1S/C14H20N4S2/c1-3-4-10-9-11-12(18-7-5-15-6-8-18)16-14(19-2)17-13(11)20-10/h9,15H,3-8H2,1-2H3
InChIKeyZOBRIBUYMNABFA-UHFFFAOYSA-N
XLogP2.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine
CID 70537326
2-(3,3-diethoxypropoxy)-6-ethyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine
CID 69379232
2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 12064073
2-(1,4-diazepan-1-yl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82057606
6-ethyl-2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 6458221
N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 70536745
2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine
CID 77231452
2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117102036
2-[6-ethyl-4-(4-hept-6-ynoylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
CID 87717984
methyl 2-[6-ethyl-4-[4-(3-methoxypropanoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate
CID 59763727
methyl 6-[4-[6-ethyl-2-(2-methoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-6-oxohexanoate
CID 59763802
6-propyl-N-[(3S)-pyrrolidin-3-yl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine
CID 58334019

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine (CID 24885305) is 2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine is CCCc1cc2c(N3CCNCC3)nc(SC)nc2s1.
What is the InChIKey of 2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine?
The InChIKey is ZOBRIBUYMNABFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-3-4-10-9-11-12(18-7-5-15-6-8-18)16-14(19-2)17-13(11)20-10/h9,15H,3-8H2,1-2H3.
What are the key properties of 2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine?
2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine has a molecular weight of 308.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 24885305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).