4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline

C21H20N6S — CID 133458583

IUPAC4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
SMILESCc1nccc(N2CCN(c3nc(-c4ccsc4)nc4ccccc34)CC2)n1
InChIInChI=1S/C21H20N6S/c1-15-22-8-6-19(23-15)26-9-11-27(12-10-26)21-17-4-2-3-5-18(17)24-20(25-21)16-7-13-28-14-16/h2-8,13-14H,9-12H2,1H3
InChIKeyGRAJOQDTFZOTFW-UHFFFAOYSA-N
MW388.50 g/mol
LogP3.78
Rot. Bonds3

About 4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline

4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline (PubChem CID 133458583) has the molecular formula C21H20N6S and a molecular weight of 388.50 g/mol. Its IUPAC name is 4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline.

Molecular Properties

Compound Name4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
PubChem CID133458583
Molecular FormulaC21H20N6S
Molecular Weight388.50 g/mol
Exact Mass388.15
IUPAC Name4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
SMILESCc1nccc(N2CCN(c3nc(-c4ccsc4)nc4ccccc34)CC2)n1
InChIInChI=1S/C21H20N6S/c1-15-22-8-6-19(23-15)26-9-11-27(12-10-26)21-17-4-2-3-5-18(17)24-20(25-21)16-7-13-28-14-16/h2-8,13-14H,9-12H2,1H3
InChIKeyGRAJOQDTFZOTFW-UHFFFAOYSA-N
XLogP3.78
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476729
2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline
CID 55377922
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133335933
azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone
CID 24508180
4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline
CID 133280022
4-imidazol-1-yl-2-thiophen-3-ylquinazoline
CID 17392212
4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133458867
1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea
CID 60570235
4-chloro-2-thiophen-3-ylquinazoline
CID 9291133
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479287
2-thiophen-2-yl-4-(2-thiophen-3-ylquinazolin-4-yl)morpholine
CID 133363520

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline?
The IUPAC name of 4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline (CID 133458583) is 4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline.
What is the SMILES notation for 4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline?
The canonical SMILES for 4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline is Cc1nccc(N2CCN(c3nc(-c4ccsc4)nc4ccccc34)CC2)n1.
What is the InChIKey of 4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline?
The InChIKey is GRAJOQDTFZOTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6S/c1-15-22-8-6-19(23-15)26-9-11-27(12-10-26)21-17-4-2-3-5-18(17)24-20(25-21)16-7-13-28-14-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline?
4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline has a molecular weight of 388.50 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline is sourced from PubChem (CID 133458583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).