6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline

C20H22N6 — CID 126894515

IUPAC6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline
SMILESc1cc(N2CCN(c3ccc4ncncc4c3)CC2)nc(C2CCC2)n1
InChIInChI=1S/C20H22N6/c1-2-15(3-1)20-22-7-6-19(24-20)26-10-8-25(9-11-26)17-4-5-18-16(12-17)13-21-14-23-18/h4-7,12-15H,1-3,8-11H2
InChIKeySKYNMWPSWUNLHV-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.01
Rot. Bonds3

About 6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline

6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline (PubChem CID 126894515) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline
PubChem CID126894515
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline
SMILESc1cc(N2CCN(c3ccc4ncncc4c3)CC2)nc(C2CCC2)n1
InChIInChI=1S/C20H22N6/c1-2-15(3-1)20-22-7-6-19(24-20)26-10-8-25(9-11-26)17-4-5-18-16(12-17)13-21-14-23-18/h4-7,12-15H,1-3,8-11H2
InChIKeySKYNMWPSWUNLHV-UHFFFAOYSA-N
XLogP3.01
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894373
6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894296
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline
CID 126894311
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 126894405
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159
2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
CID 126894160
6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894338
6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
CID 126894285
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 126894384
7-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-(2,2-difluoroethyl)quinazolin-4-one
CID 126898220
6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline
CID 126894256

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline?
The IUPAC name of 6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline (CID 126894515) is 6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline?
The canonical SMILES for 6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline is c1cc(N2CCN(c3ccc4ncncc4c3)CC2)nc(C2CCC2)n1.
What is the InChIKey of 6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline?
The InChIKey is SKYNMWPSWUNLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-2-15(3-1)20-22-7-6-19(24-20)26-10-8-25(9-11-26)17-4-5-18-16(12-17)13-21-14-23-18/h4-7,12-15H,1-3,8-11H2.
What are the key properties of 6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline?
6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline has a molecular weight of 346.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 126894515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).