4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine

C21H25F2N5O2 — CID 44821993

IUPAC4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine
SMILESCCn1cc(CN(C)c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)n2)c(C)n1
InChIInChI=1S/C21H25F2N5O2/c1-6-28-12-15(13(2)26-28)11-27(3)21-24-16(10-17(25-21)20(22)23)14-7-8-18(29-4)19(9-14)30-5/h7-10,12,20H,6,11H2,1-5H3
InChIKeyKGDAHYGYPAUVLE-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.26
Rot. Bonds8

About 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine

4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine (PubChem CID 44821993) has the molecular formula C21H25F2N5O2 and a molecular weight of 417.46 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine
PubChem CID44821993
Molecular FormulaC21H25F2N5O2
Molecular Weight417.46 g/mol
Exact Mass417.20
IUPAC Name4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine
SMILESCCn1cc(CN(C)c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)n2)c(C)n1
InChIInChI=1S/C21H25F2N5O2/c1-6-28-12-15(13(2)26-28)11-27(3)21-24-16(10-17(25-21)20(22)23)14-7-8-18(29-4)19(9-14)30-5/h7-10,12,20H,6,11H2,1-5H3
InChIKeyKGDAHYGYPAUVLE-UHFFFAOYSA-N
XLogP4.26
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 44824454
4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 44821957
1-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazole-4-sulfonamide
CID 29092773
[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine
CID 19621434
1-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid
CID 19621456
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide
CID 135117219
methyl 2-[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
CID 29090232
3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 122566168
1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 74234497
1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 82453268
2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile
CID 139203706
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(5-methoxy-3-pyridinyl)-N-methylbenzamide
CID 121495383

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine (CID 44821993) is 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine is CCn1cc(CN(C)c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)n2)c(C)n1.
What is the InChIKey of 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine?
The InChIKey is KGDAHYGYPAUVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N5O2/c1-6-28-12-15(13(2)26-28)11-27(3)21-24-16(10-17(25-21)20(22)23)14-7-8-18(29-4)19(9-14)30-5/h7-10,12,20H,6,11H2,1-5H3.
What are the key properties of 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine?
4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine has a molecular weight of 417.46 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 44821993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).