6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine

C20H20N6S — CID 90001156

IUPAC6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine
SMILESCc1[nH]ncc1-c1cc2ncnc(N3CCN(c4ccccc4)CC3)c2s1
InChIInChI=1S/C20H20N6S/c1-14-16(12-23-24-14)18-11-17-19(27-18)20(22-13-21-17)26-9-7-25(8-10-26)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,23,24)
InChIKeyFNMXEEQBCYCEJC-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.72
Rot. Bonds3

About 6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine

6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine (PubChem CID 90001156) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine
PubChem CID90001156
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine
SMILESCc1[nH]ncc1-c1cc2ncnc(N3CCN(c4ccccc4)CC3)c2s1
InChIInChI=1S/C20H20N6S/c1-14-16(12-23-24-14)18-11-17-19(27-18)20(22-13-21-17)26-9-7-25(8-10-26)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,23,24)
InChIKeyFNMXEEQBCYCEJC-UHFFFAOYSA-N
XLogP3.72
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine
CID 44523935
5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 705854
6-(4-chlorophenyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
CID 133288356
4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735916
4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 22031719
5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1186225
4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 59564767
4-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 133349538
6-(4-chlorophenyl)-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 24607009
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 65418435
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 4060720

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine (CID 90001156) is 6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine is Cc1[nH]ncc1-c1cc2ncnc(N3CCN(c4ccccc4)CC3)c2s1.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine?
The InChIKey is FNMXEEQBCYCEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c1-14-16(12-23-24-14)18-11-17-19(27-18)20(22-13-21-17)26-9-7-25(8-10-26)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,23,24).
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine?
6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine has a molecular weight of 376.49 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-4-yl)-4-(4-phenylpiperazin-1-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 90001156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).