4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine

C15H18F2N6 — CID 154882598

IUPAC4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
SMILESCc1cnc(N2CCN(c3cc(C(F)F)nc(C)n3)CC2)nc1
InChIInChI=1S/C15H18F2N6/c1-10-8-18-15(19-9-10)23-5-3-22(4-6-23)13-7-12(14(16)17)20-11(2)21-13/h7-9,14H,3-6H2,1-2H3
InChIKeyNLWNMQVUCQKBFB-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.15
Rot. Bonds3

About 4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine

4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 154882598) has the molecular formula C15H18F2N6 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
PubChem CID154882598
Molecular FormulaC15H18F2N6
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC Name4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
SMILESCc1cnc(N2CCN(c3cc(C(F)F)nc(C)n3)CC2)nc1
InChIInChI=1S/C15H18F2N6/c1-10-8-18-15(19-9-10)23-5-3-22(4-6-23)13-7-12(14(16)17)20-11(2)21-13/h7-9,14H,3-6H2,1-2H3
InChIKeyNLWNMQVUCQKBFB-UHFFFAOYSA-N
XLogP2.15
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine (CID 154882598) is 4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine is Cc1cnc(N2CCN(c3cc(C(F)F)nc(C)n3)CC2)nc1.
What is the InChIKey of 4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is NLWNMQVUCQKBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N6/c1-10-8-18-15(19-9-10)23-5-3-22(4-6-23)13-7-12(14(16)17)20-11(2)21-13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 320.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 154882598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).