4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine

C19H24F2N4O2 — CID 44824454

IUPAC4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine
SMILESCCN1CCN(c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)n2)CC1
InChIInChI=1S/C19H24F2N4O2/c1-4-24-7-9-25(10-8-24)19-22-14(12-15(23-19)18(20)21)13-5-6-16(26-2)17(11-13)27-3/h5-6,11-12,18H,4,7-10H2,1-3H3
InChIKeyXWYJKIFLGYNWJI-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.24
Rot. Bonds6

About 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine

4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine (PubChem CID 44824454) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine
PubChem CID44824454
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine
SMILESCCN1CCN(c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)n2)CC1
InChIInChI=1S/C19H24F2N4O2/c1-4-24-7-9-25(10-8-24)19-22-14(12-15(23-19)18(20)21)13-5-6-16(26-2)17(11-13)27-3/h5-6,11-12,18H,4,7-10H2,1-3H3
InChIKeyXWYJKIFLGYNWJI-UHFFFAOYSA-N
XLogP3.24
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline;dihydrochloride
CID 22502852
1-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid
CID 19621456
4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 630454
[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine
CID 19621434
4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine
CID 44821993
4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 2992799
4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 44821957
4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine
CID 2854346
4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine
CID 2854001
N-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914414
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
1-(6-bromo-5-methoxy-2-pyridinyl)-4-ethylpiperazine
CID 88570050

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine (CID 44824454) is 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine is CCN1CCN(c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)n2)CC1.
What is the InChIKey of 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine?
The InChIKey is XWYJKIFLGYNWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-4-24-7-9-25(10-8-24)19-22-14(12-15(23-19)18(20)21)13-5-6-16(26-2)17(11-13)27-3/h5-6,11-12,18H,4,7-10H2,1-3H3.
What are the key properties of 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine?
4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine has a molecular weight of 378.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 44824454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).