4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one

C22H22N6O — CID 137268119

IUPAC4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCc3cccc(Cn4cccn4)c3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C22H22N6O/c1-15-16(2)26-21(27-22(15)29)19-7-8-20(24-13-19)23-12-17-5-3-6-18(11-17)14-28-10-4-9-25-28/h3-11,13H,12,14H2,1-2H3,(H,23,24)(H,26,27,29)
InChIKeyWODDDUNHJVJKNJ-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.31
Rot. Bonds6

About 4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one

4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137268119) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137268119
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCc3cccc(Cn4cccn4)c3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C22H22N6O/c1-15-16(2)26-21(27-22(15)29)19-7-8-20(24-13-19)23-12-17-5-3-6-18(11-17)14-28-10-4-9-25-28/h3-11,13H,12,14H2,1-2H3,(H,23,24)(H,26,27,29)
InChIKeyWODDDUNHJVJKNJ-UHFFFAOYSA-N
XLogP3.31
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
CID 137274775
2-[6-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275219
6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 133313975
2-[6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137268895
2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137261742
4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264925
2-[6-[2-(azepan-1-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137263013
2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273705
4,5-dimethyl-2-[6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137267994
5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133291347
2-[6-[(2-hydroxycyclopentyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275514
2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137274924

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137268119) is 4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(NCc3cccc(Cn4cccn4)c3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is WODDDUNHJVJKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-15-16(2)26-21(27-22(15)29)19-7-8-20(24-13-19)23-12-17-5-3-6-18(11-17)14-28-10-4-9-25-28/h3-11,13H,12,14H2,1-2H3,(H,23,24)(H,26,27,29).
What are the key properties of 4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 386.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137268119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).