2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C19H22N6O — CID 137257707

IUPAC2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N3CCCC(c4ncc[nH]4)C3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C19H22N6O/c1-12-13(2)23-18(24-19(12)26)14-5-6-16(22-10-14)25-9-3-4-15(11-25)17-20-7-8-21-17/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,20,21)(H,23,24,26)
InChIKeyORZONXHOQQAXKF-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.56
Rot. Bonds3

About 2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137257707) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137257707
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N3CCCC(c4ncc[nH]4)C3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C19H22N6O/c1-12-13(2)23-18(24-19(12)26)14-5-6-16(22-10-14)25-9-3-4-15(11-25)17-20-7-8-21-17/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,20,21)(H,23,24,26)
InChIKeyORZONXHOQQAXKF-UHFFFAOYSA-N
XLogP2.56
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4,5-dimethyl-2-[6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137265094
5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 72844232
N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
CID 137263125
4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137273768
N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 137268111
4,5-dimethyl-2-[6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137257490
methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133448398
2-[6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137263133
2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137262921
2-[6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273596
2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137266312
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137257707) is 2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(N3CCCC(c4ncc[nH]4)C3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is ORZONXHOQQAXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-13(2)23-18(24-19(12)26)14-5-6-16(22-10-14)25-9-3-4-15(11-25)17-20-7-8-21-17/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,20,21)(H,23,24,26).
What are the key properties of 2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 350.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137257707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).