4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one

C19H25N9O — CID 89450544

IUPAC4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one
SMILESNCCn1cc(-c2cc[nH]c(=O)c2)nc1C1CCN(c2ncnc(N)c2N)CC1
InChIInChI=1S/C19H25N9O/c20-4-8-28-10-14(13-1-5-23-15(29)9-13)26-18(28)12-2-6-27(7-3-12)19-16(21)17(22)24-11-25-19/h1,5,9-12H,2-4,6-8,20-21H2,(H,23,29)(H2,22,24,25)
InChIKeyVDUYTSOSPSGOJM-UHFFFAOYSA-N
MW395.47 g/mol
LogP0.54
Rot. Bonds5

About 4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one

4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one (PubChem CID 89450544) has the molecular formula C19H25N9O and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one
PubChem CID89450544
Molecular FormulaC19H25N9O
Molecular Weight395.47 g/mol
Exact Mass395.22
IUPAC Name4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one
SMILESNCCn1cc(-c2cc[nH]c(=O)c2)nc1C1CCN(c2ncnc(N)c2N)CC1
InChIInChI=1S/C19H25N9O/c20-4-8-28-10-14(13-1-5-23-15(29)9-13)26-18(28)12-2-6-27(7-3-12)19-16(21)17(22)24-11-25-19/h1,5,9-12H,2-4,6-8,20-21H2,(H,23,29)(H2,22,24,25)
InChIKeyVDUYTSOSPSGOJM-UHFFFAOYSA-N
XLogP0.54
TPSA157.76 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

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
4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 89443041
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-(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-[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-(cyclopentylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 71516739
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
4-amino-6-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 142772777
5-bromo-6-[4-[1-(2-pyrrolidin-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450290
5-bromo-6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 118300548
4-amino-6-[4-[1-[2-(diethylamino)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
CID 89450289

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one (CID 89450544) is 4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one is NCCn1cc(-c2cc[nH]c(=O)c2)nc1C1CCN(c2ncnc(N)c2N)CC1.
What is the InChIKey of 4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one?
The InChIKey is VDUYTSOSPSGOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9O/c20-4-8-28-10-14(13-1-5-23-15(29)9-13)26-18(28)12-2-6-27(7-3-12)19-16(21)17(22)24-11-25-19/h1,5,9-12H,2-4,6-8,20-21H2,(H,23,29)(H2,22,24,25).
What are the key properties of 4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one?
4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one has a molecular weight of 395.47 g/mol, XLogP of 0.54, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-aminoethyl)-2-[1-(5,6-diaminopyrimidin-4-yl)piperidin-4-yl]imidazol-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 89450544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).