6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine

C25H33F2N7 — CID 90424644

IUPAC6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine
SMILESCNCCn1cc(-c2ccc(F)c(C)c2)nc1C1CCN(c2ncnc(N)c2C(C)C)CC1F
InChIInChI=1S/C25H33F2N7/c1-15(2)22-23(28)30-14-31-25(22)33-9-7-18(20(27)12-33)24-32-21(13-34(24)10-8-29-4)17-5-6-19(26)16(3)11-17/h5-6,11,13-15,18,20,29H,7-10,12H2,1-4H3,(H2,28,30,31)
InChIKeyHTWLRLMWASQHEU-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.04
Rot. Bonds7

About 6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine

6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine (PubChem CID 90424644) has the molecular formula C25H33F2N7 and a molecular weight of 469.58 g/mol. Its IUPAC name is 6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine
PubChem CID90424644
Molecular FormulaC25H33F2N7
Molecular Weight469.58 g/mol
Exact Mass469.28
IUPAC Name6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine
SMILESCNCCn1cc(-c2ccc(F)c(C)c2)nc1C1CCN(c2ncnc(N)c2C(C)C)CC1F
InChIInChI=1S/C25H33F2N7/c1-15(2)22-23(28)30-14-31-25(22)33-9-7-18(20(27)12-33)24-32-21(13-34(24)10-8-29-4)17-5-6-19(26)16(3)11-17/h5-6,11,13-15,18,20,29H,7-10,12H2,1-4H3,(H2,28,30,31)
InChIKeyHTWLRLMWASQHEU-UHFFFAOYSA-N
XLogP4.04
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-6-[(3S,4R)-4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]-3-fluoropiperidin-1-yl]pyrimidine-5-carboxamide
CID 86267782
2-[(3S)-4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]-3-fluoropiperidin-1-yl]pyrimidine-5-carboxamide
CID 90425330
4-amino-6-[(3R,4S)-4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-fluoropiperidin-1-yl]pyrimidine-5-carbonitrile
CID 86267366
4-amino-6-[4-[1-[2-(cyclopentylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 71516739
6-[4-[1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]cyclohexyl]-5-propan-2-ylpyrimidin-4-amine
CID 71516788
4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
CID 89450289
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-6-[4-[1-[2-(tert-butylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 130255252
tert-butyl (3S,4R)-4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]-3-fluoropiperidine-1-carboxylate
CID 90424480
5-ethoxy-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(propan-2-ylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 71516764
5-ethyl-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89442676
2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol
CID 118662239
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-yloxypyrimidin-4-amine
CID 71516690

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine (CID 90424644) is 6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine is CNCCn1cc(-c2ccc(F)c(C)c2)nc1C1CCN(c2ncnc(N)c2C(C)C)CC1F.
What is the InChIKey of 6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is HTWLRLMWASQHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2N7/c1-15(2)22-23(28)30-14-31-25(22)33-9-7-18(20(27)12-33)24-32-21(13-34(24)10-8-29-4)17-5-6-19(26)16(3)11-17/h5-6,11,13-15,18,20,29H,7-10,12H2,1-4H3,(H2,28,30,31).
What are the key properties of 6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine?
6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 469.58 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(methylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 90424644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).