5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one

C20H20N6O — CID 86693620

IUPAC5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one
SMILESCCc1cc(-c2cnc(=O)[nH]c2)ccc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C20H20N6O/c1-4-13-7-14(15-9-22-20(27)23-10-15)5-6-17(13)26(3)19-8-18-16(11-21-19)24-12-25(18)2/h5-12H,4H2,1-3H3,(H,22,23,27)
InChIKeyONVUNAVVUQMPDR-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.05
Rot. Bonds4

About 5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one

5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one (PubChem CID 86693620) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one
PubChem CID86693620
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one
SMILESCCc1cc(-c2cnc(=O)[nH]c2)ccc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C20H20N6O/c1-4-13-7-14(15-9-22-20(27)23-10-15)5-6-17(13)26(3)19-8-18-16(11-21-19)24-12-25(18)2/h5-12H,4H2,1-3H3,(H,22,23,27)
InChIKeyONVUNAVVUQMPDR-UHFFFAOYSA-N
XLogP3.05
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one?
The IUPAC name of 5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one (CID 86693620) is 5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one is CCc1cc(-c2cnc(=O)[nH]c2)ccc1N(C)c1cc2c(cn1)ncn2C.
What is the InChIKey of 5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one?
The InChIKey is ONVUNAVVUQMPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-4-13-7-14(15-9-22-20(27)23-10-15)5-6-17(13)26(3)19-8-18-16(11-21-19)24-12-25(18)2/h5-12H,4H2,1-3H3,(H,22,23,27).
What are the key properties of 5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one?
5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one has a molecular weight of 360.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 86693620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).