N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine

C19H22F4N4 — CID 170925579

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine
SMILESCCN1CCCC1CNc1ncc(-c2ccc(C(F)(F)F)cc2F)c(C)n1
InChIInChI=1S/C19H22F4N4/c1-3-27-8-4-5-14(27)10-24-18-25-11-16(12(2)26-18)15-7-6-13(9-17(15)20)19(21,22)23/h6-7,9,11,14H,3-5,8,10H2,1-2H3,(H,24,25,26)
InChIKeyRCTUSQQBTKMFDM-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.51
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine (PubChem CID 170925579) has the molecular formula C19H22F4N4 and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine
PubChem CID170925579
Molecular FormulaC19H22F4N4
Molecular Weight382.41 g/mol
Exact Mass382.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine
SMILESCCN1CCCC1CNc1ncc(-c2ccc(C(F)(F)F)cc2F)c(C)n1
InChIInChI=1S/C19H22F4N4/c1-3-27-8-4-5-14(27)10-24-18-25-11-16(12(2)26-18)15-7-6-13(9-17(15)20)19(21,22)23/h6-7,9,11,14H,3-5,8,10H2,1-2H3,(H,24,25,26)
InChIKeyRCTUSQQBTKMFDM-UHFFFAOYSA-N
XLogP4.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 170925575
5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
CID 170925530
5-(2,4-difluorophenyl)-4-methyl-N-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 170925553
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 28819878
5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-2-amine
CID 170925598
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288
5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
CID 170925600
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80944062
N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine
CID 170925557
2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 170925615
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine (CID 170925579) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine is CCN1CCCC1CNc1ncc(-c2ccc(C(F)(F)F)cc2F)c(C)n1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine?
The InChIKey is RCTUSQQBTKMFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N4/c1-3-27-8-4-5-14(27)10-24-18-25-11-16(12(2)26-18)15-7-6-13(9-17(15)20)19(21,22)23/h6-7,9,11,14H,3-5,8,10H2,1-2H3,(H,24,25,26).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine has a molecular weight of 382.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 170925579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).