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

C21H25N9O — CID 89442580

IUPAC4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(1,2-oxazol-4-yl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1N1CCC(c2nc(-c3cnoc3)cn2CCN2CCC2)CC1
InChIInChI=1S/C21H25N9O/c22-10-17-19(23)24-14-25-21(17)29-6-2-15(3-7-29)20-27-18(16-11-26-31-13-16)12-30(20)9-8-28-4-1-5-28/h11-15H,1-9H2,(H2,23,24,25)
InChIKeyKTBJSZWXMIFTCA-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.87
Rot. Bonds6

About 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

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 (PubChem CID 89442580) has the molecular formula C21H25N9O and a molecular weight of 419.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(1,2-oxazol-4-yl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
PubChem CID89442580
Molecular FormulaC21H25N9O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC Name4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(1,2-oxazol-4-yl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1N1CCC(c2nc(-c3cnoc3)cn2CCN2CCC2)CC1
InChIInChI=1S/C21H25N9O/c22-10-17-19(23)24-14-25-21(17)29-6-2-15(3-7-29)20-27-18(16-11-26-31-13-16)12-30(20)9-8-28-4-1-5-28/h11-15H,1-9H2,(H2,23,24,25)
InChIKeyKTBJSZWXMIFTCA-UHFFFAOYSA-N
XLogP1.87
TPSA125.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 89443041
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-cyclobutyl-6-[4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450384
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
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-cyclobutylpyrimidin-4-amine
CID 164628705
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-bromo-6-[4-[1-(2-pyrrolidin-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450290
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(6-chloro-2-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
CID 89450673
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
5-(4-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-piperidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450703
4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile
CID 90436574

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1c(N)ncnc1N1CCC(c2nc(-c3cnoc3)cn2CCN2CCC2)CC1.
What is the InChIKey of 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?
The InChIKey is KTBJSZWXMIFTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9O/c22-10-17-19(23)24-14-25-21(17)29-6-2-15(3-7-29)20-27-18(16-11-26-31-13-16)12-30(20)9-8-28-4-1-5-28/h11-15H,1-9H2,(H2,23,24,25).
What are the key properties of 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?
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 has a molecular weight of 419.49 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89442580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).