4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine

C19H19N7S — CID 163357358

IUPAC4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1nccn1-c1cccc(N2CCN(c3ncnc4ccsc34)CC2)n1
InChIInChI=1S/C19H19N7S/c1-14-20-6-7-26(14)17-4-2-3-16(23-17)24-8-10-25(11-9-24)19-18-15(5-12-27-18)21-13-22-19/h2-7,12-13H,8-11H2,1H3
InChIKeyVSWDUTIQIZGAAV-UHFFFAOYSA-N
MW377.48 g/mol
LogP2.91
Rot. Bonds3

About 4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine

4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 163357358) has the molecular formula C19H19N7S and a molecular weight of 377.48 g/mol. Its IUPAC name is 4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID163357358
Molecular FormulaC19H19N7S
Molecular Weight377.48 g/mol
Exact Mass377.14
IUPAC Name4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1nccn1-c1cccc(N2CCN(c3ncnc4ccsc34)CC2)n1
InChIInChI=1S/C19H19N7S/c1-14-20-6-7-26(14)17-4-2-3-16(23-17)24-8-10-25(11-9-24)19-18-15(5-12-27-18)21-13-22-19/h2-7,12-13H,8-11H2,1H3
InChIKeyVSWDUTIQIZGAAV-UHFFFAOYSA-N
XLogP2.91
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155981619
N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine
CID 155942605
4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 138008494
2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole
CID 163357159
4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 154883702
4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 163345062
4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 136527857
4-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 133349538
4-[4-(2-chloroethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 63392635
4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 166605539
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
CID 24607532
4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine
CID 126773636

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (CID 163357358) is 4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is Cc1nccn1-c1cccc(N2CCN(c3ncnc4ccsc34)CC2)n1.
What is the InChIKey of 4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is VSWDUTIQIZGAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7S/c1-14-20-6-7-26(14)17-4-2-3-16(23-17)24-8-10-25(11-9-24)19-18-15(5-12-27-18)21-13-22-19/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 377.48 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 163357358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).