4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine

C18H22F2N4 — CID 163356408

IUPAC4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine
SMILESCc1ncnc(N2CCN(Cc3ccc(F)cc3F)C(C)C2)c1C
InChIInChI=1S/C18H22F2N4/c1-12-9-24(18-13(2)14(3)21-11-22-18)7-6-23(12)10-15-4-5-16(19)8-17(15)20/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyLUJNUSMTGKGEAP-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.08
Rot. Bonds3

About 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine

4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine (PubChem CID 163356408) has the molecular formula C18H22F2N4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine
PubChem CID163356408
Molecular FormulaC18H22F2N4
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine
SMILESCc1ncnc(N2CCN(Cc3ccc(F)cc3F)C(C)C2)c1C
InChIInChI=1S/C18H22F2N4/c1-12-9-24(18-13(2)14(3)21-11-22-18)7-6-23(12)10-15-4-5-16(19)8-17(15)20/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyLUJNUSMTGKGEAP-UHFFFAOYSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 163348402
4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine
CID 163348036
7-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163348358
3-[(2,4-difluorophenyl)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56879854
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine
CID 62228318
2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine
CID 81210281
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64833514
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 165433619
5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056207
4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine
CID 163350251

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine (CID 163356408) is 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine is Cc1ncnc(N2CCN(Cc3ccc(F)cc3F)C(C)C2)c1C.
What is the InChIKey of 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine?
The InChIKey is LUJNUSMTGKGEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4/c1-12-9-24(18-13(2)14(3)21-11-22-18)7-6-23(12)10-15-4-5-16(19)8-17(15)20/h4-5,8,11-12H,6-7,9-10H2,1-3H3.
What are the key properties of 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine?
4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine has a molecular weight of 332.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 163356408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).