2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine

C18H20N4S — CID 2086721

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(C)CC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H20N4S/c1-13-19-17(22-10-8-21(2)9-11-22)15-12-16(23-18(15)20-13)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyRYIOABQQQQKPKS-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.42
Rot. Bonds2

About 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine

2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 2086721) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine
PubChem CID2086721
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(C)CC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H20N4S/c1-13-19-17(22-10-8-21(2)9-11-22)15-12-16(23-18(15)20-13)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyRYIOABQQQQKPKS-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
Ddp-225
CID 6918194
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 72201086
2,4-Diamino-6-benzyl-5-methylthieno[2,3-d]pyrimidine
CID 457382
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
2,7-Dimethyl-4-(piperazin-1-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
CID 3207225
(2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CID 70702288
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(Pentafluoroethyl)thieno[2,3-D]pyrimidine
CID 90453135
6-Methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 3157193
N,N-diethyl-N'-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 1608673
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine (CID 2086721) is 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine is Cc1nc(N2CCN(C)CC2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is RYIOABQQQQKPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-13-19-17(22-10-8-21(2)9-11-22)15-12-16(23-18(15)20-13)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 324.45 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2086721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).