4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine

C16H20F2N6 — CID 154882520

IUPAC4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
SMILESCCc1cnc(N2CCN(c3cc(C(F)F)nc(C)n3)CC2)nc1
InChIInChI=1S/C16H20F2N6/c1-3-12-9-19-16(20-10-12)24-6-4-23(5-7-24)14-8-13(15(17)18)21-11(2)22-14/h8-10,15H,3-7H2,1-2H3
InChIKeyUGDDGMPSEWJKHQ-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.40
Rot. Bonds4

About 4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine

4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine (PubChem CID 154882520) has the molecular formula C16H20F2N6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
PubChem CID154882520
Molecular FormulaC16H20F2N6
Molecular Weight334.37 g/mol
Exact Mass334.17
IUPAC Name4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
SMILESCCc1cnc(N2CCN(c3cc(C(F)F)nc(C)n3)CC2)nc1
InChIInChI=1S/C16H20F2N6/c1-3-12-9-19-16(20-10-12)24-6-4-23(5-7-24)14-8-13(15(17)18)21-11(2)22-14/h8-10,15H,3-7H2,1-2H3
InChIKeyUGDDGMPSEWJKHQ-UHFFFAOYSA-N
XLogP2.40
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine (CID 154882520) is 4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine is CCc1cnc(N2CCN(c3cc(C(F)F)nc(C)n3)CC2)nc1.
What is the InChIKey of 4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine?
The InChIKey is UGDDGMPSEWJKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N6/c1-3-12-9-19-16(20-10-12)24-6-4-23(5-7-24)14-8-13(15(17)18)21-11(2)22-14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine?
4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine has a molecular weight of 334.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 154882520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).