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

C21H24N6 — CID 126894373

IUPAC6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline
SMILESc1cc(CN2CCN(c3ccc4ncncc4c3)CC2)nc(C2CCC2)n1
InChIInChI=1S/C21H24N6/c1-2-16(3-1)21-23-7-6-18(25-21)14-26-8-10-27(11-9-26)19-4-5-20-17(12-19)13-22-15-24-20/h4-7,12-13,15-16H,1-3,8-11,14H2
InChIKeyMQTMBPRDPMEINQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.01
Rot. Bonds4

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

6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline (PubChem CID 126894373) has the molecular formula C21H24N6 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline
PubChem CID126894373
Molecular FormulaC21H24N6
Molecular Weight360.46 g/mol
Exact Mass360.21
IUPAC Name6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline
SMILESc1cc(CN2CCN(c3ccc4ncncc4c3)CC2)nc(C2CCC2)n1
InChIInChI=1S/C21H24N6/c1-2-16(3-1)21-23-7-6-18(25-21)14-26-8-10-27(11-9-26)19-4-5-20-17(12-19)13-22-15-24-20/h4-7,12-13,15-16H,1-3,8-11,14H2
InChIKeyMQTMBPRDPMEINQ-UHFFFAOYSA-N
XLogP3.01
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894515
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 126894405
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 126894384
5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 126894391
6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
CID 126894285
6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894338
1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol
CID 126894549
1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894474
2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
CID 126894160
6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline
CID 126894311
4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one
CID 126894463
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline (CID 126894373) is 6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline is c1cc(CN2CCN(c3ccc4ncncc4c3)CC2)nc(C2CCC2)n1.
What is the InChIKey of 6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline?
The InChIKey is MQTMBPRDPMEINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-2-16(3-1)21-23-7-6-18(25-21)14-26-8-10-27(11-9-26)19-4-5-20-17(12-19)13-22-15-24-20/h4-7,12-13,15-16H,1-3,8-11,14H2.
What are the key properties of 6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline?
6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline has a molecular weight of 360.46 g/mol, XLogP of 3.01, 4 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)methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 126894373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).