2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C19H24F3N5O2 — CID 133357204

IUPAC2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOc1cc(OC)cc(N2CCC(Nc3nc(N(C)C)cc(C(F)(F)F)n3)C2)c1
InChIInChI=1S/C19H24F3N5O2/c1-26(2)17-10-16(19(20,21)22)24-18(25-17)23-12-5-6-27(11-12)13-7-14(28-3)9-15(8-13)29-4/h7-10,12H,5-6,11H2,1-4H3,(H,23,24,25)
InChIKeyXSWPKJKYSSSEDT-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.27
Rot. Bonds6

About 2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 133357204) has the molecular formula C19H24F3N5O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID133357204
Molecular FormulaC19H24F3N5O2
Molecular Weight411.43 g/mol
Exact Mass411.19
IUPAC Name2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOc1cc(OC)cc(N2CCC(Nc3nc(N(C)C)cc(C(F)(F)F)n3)C2)c1
InChIInChI=1S/C19H24F3N5O2/c1-26(2)17-10-16(19(20,21)22)24-18(25-17)23-12-5-6-27(11-12)13-7-14(28-3)9-15(8-13)29-4/h7-10,12H,5-6,11H2,1-4H3,(H,23,24,25)
InChIKeyXSWPKJKYSSSEDT-UHFFFAOYSA-N
XLogP3.27
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(3,5-dimethoxyanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133362299
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133357128
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356577
2-[4-(2-fluoroanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133330758
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109406352
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133357134
6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
CID 154757700
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-6-propan-2-yloxypyrazin-2-amine
CID 133485329
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpyrimidin-2-amine
CID 71863951
N-[(3S)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpyrimidin-2-amine
CID 96525946
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133356559
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133438923

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 133357204) is 2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is COc1cc(OC)cc(N2CCC(Nc3nc(N(C)C)cc(C(F)(F)F)n3)C2)c1.
What is the InChIKey of 2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is XSWPKJKYSSSEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O2/c1-26(2)17-10-16(19(20,21)22)24-18(25-17)23-12-5-6-27(11-12)13-7-14(28-3)9-15(8-13)29-4/h7-10,12H,5-6,11H2,1-4H3,(H,23,24,25).
What are the key properties of 2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 411.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133357204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).