4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile

C26H33FN8 — CID 89450289

IUPAC4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESCCN(CC)CCn1cc(-c2ccc(F)c(C)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1
InChIInChI=1S/C26H33FN8/c1-4-33(5-2)12-13-35-16-23(20-6-7-22(27)18(3)14-20)32-25(35)19-8-10-34(11-9-19)26-21(15-28)24(29)30-17-31-26/h6-7,14,16-17,19H,4-5,8-13H2,1-3H3,(H2,29,30,31)
InChIKeyWQRREPRLHYMJEK-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.97
Rot. Bonds8

About 4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile

4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile (PubChem CID 89450289) has the molecular formula C26H33FN8 and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
PubChem CID89450289
Molecular FormulaC26H33FN8
Molecular Weight476.60 g/mol
Exact Mass476.28
IUPAC Name4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESCCN(CC)CCn1cc(-c2ccc(F)c(C)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1
InChIInChI=1S/C26H33FN8/c1-4-33(5-2)12-13-35-16-23(20-6-7-22(27)18(3)14-20)32-25(35)19-8-10-34(11-9-19)26-21(15-28)24(29)30-17-31-26/h6-7,14,16-17,19H,4-5,8-13H2,1-3H3,(H2,29,30,31)
InChIKeyWQRREPRLHYMJEK-UHFFFAOYSA-N
XLogP3.97
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-6-[4-[1-[2-(cyclopentylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
CID 89442851
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
4-amino-6-[4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbaldehyde
CID 89442719
4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(1,2-oxazol-4-yl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
CID 89442580
6-[4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-(2-ethoxyethyl)pyrimidin-4-amine
CID 89442548
5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450740
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
4-amino-6-[4-[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 142772782
4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol
CID 144555011
5-cyclobutyl-6-[4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450384
6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
CID 118300551

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile (CID 89450289) is 4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile is CCN(CC)CCn1cc(-c2ccc(F)c(C)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1.
What is the InChIKey of 4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile?
The InChIKey is WQRREPRLHYMJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN8/c1-4-33(5-2)12-13-35-16-23(20-6-7-22(27)18(3)14-20)32-25(35)19-8-10-34(11-9-19)26-21(15-28)24(29)30-17-31-26/h6-7,14,16-17,19H,4-5,8-13H2,1-3H3,(H2,29,30,31).
What are the key properties of 4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile?
4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile has a molecular weight of 476.60 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 89450289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).