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

C18H18F2N6 — CID 154882816

IUPAC4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline
SMILESCc1nc(C(F)F)cc(N2CCN(c3ncnc4ccccc34)CC2)n1
InChIInChI=1S/C18H18F2N6/c1-12-23-15(17(19)20)10-16(24-12)25-6-8-26(9-7-25)18-13-4-2-3-5-14(13)21-11-22-18/h2-5,10-11,17H,6-9H2,1H3
InChIKeyPXGPLZZOYDBFDU-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.99
Rot. Bonds3

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

4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline (PubChem CID 154882816) has the molecular formula C18H18F2N6 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline
PubChem CID154882816
Molecular FormulaC18H18F2N6
Molecular Weight356.38 g/mol
Exact Mass356.16
IUPAC Name4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline
SMILESCc1nc(C(F)F)cc(N2CCN(c3ncnc4ccccc34)CC2)n1
InChIInChI=1S/C18H18F2N6/c1-12-23-15(17(19)20)10-16(24-12)25-6-8-26(9-7-25)18-13-4-2-3-5-14(13)21-11-22-18/h2-5,10-11,17H,6-9H2,1H3
InChIKeyPXGPLZZOYDBFDU-UHFFFAOYSA-N
XLogP2.99
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 154882855
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline
CID 123289394
4-(azepan-1-yl)quinazoline
CID 5207391
4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole
CID 133391255
4-(4-benzhydrylpiperazin-1-yl)quinazoline
CID 1413844
4-[4-[6-(difluoromethyl)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 155798953
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 154829274
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 154829246
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline
CID 154853696
4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155981619
4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 86891071

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline (CID 154882816) is 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline is Cc1nc(C(F)F)cc(N2CCN(c3ncnc4ccccc34)CC2)n1.
What is the InChIKey of 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline?
The InChIKey is PXGPLZZOYDBFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6/c1-12-23-15(17(19)20)10-16(24-12)25-6-8-26(9-7-25)18-13-4-2-3-5-14(13)21-11-22-18/h2-5,10-11,17H,6-9H2,1H3.
What are the key properties of 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline?
4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline has a molecular weight of 356.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 154882816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).