2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one

C21H21N7O2 — CID 86267407

IUPAC2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCCNc1ncc(-c2ccc(Oc3ccnc(-n4cnc(C)c4)c3)c(C)n2)c(=O)[nH]1
InChIInChI=1S/C21H21N7O2/c1-4-22-21-24-10-16(20(29)27-21)17-5-6-18(14(3)26-17)30-15-7-8-23-19(9-15)28-11-13(2)25-12-28/h5-12H,4H2,1-3H3,(H2,22,24,27,29)
InChIKeyGGKMTJKMGZTJPH-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.25
Rot. Bonds6

About 2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one

2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 86267407) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one
PubChem CID86267407
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCCNc1ncc(-c2ccc(Oc3ccnc(-n4cnc(C)c4)c3)c(C)n2)c(=O)[nH]1
InChIInChI=1S/C21H21N7O2/c1-4-22-21-24-10-16(20(29)27-21)17-5-6-18(14(3)26-17)30-15-7-8-23-19(9-15)28-11-13(2)25-12-28/h5-12H,4H2,1-3H3,(H2,22,24,27,29)
InChIKeyGGKMTJKMGZTJPH-UHFFFAOYSA-N
XLogP3.25
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

Vimseltinib
CID 86267612
3-((5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)-N-phenylbenzamide
CID 52942278
N-(3-((5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)benzamide
CID 52947137
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(6-ethyl-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197937
2-(isopropylamino)-5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one
CID 86267405
2-(ethylamino)-5-(6-methyl-5-((6'-methyl-[2,3'-bipyridin]-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one
CID 86267406
5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)-2-(methylamino)pyrimidin-4(3H)-one
CID 86267409
2-(ethylamino)-5-(5-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one
CID 86267410
4-((6-(2-(isopropylamino)-6-oxo-1,6-dihydropyrimidin-5-yl)pyridin-3-yl)oxy)-N-methylpicolinamide
CID 86267613
N-[4-[[2-methyl-6-[6-oxo-2-(propan-2-ylamino)-1H-pyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]acetamide
CID 86267824
5-(5-((2-(1-ethyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)-6-methylpyridin-2-yl)-2-(isopropylamino)pyrimidin-4(3H)-one
CID 86268026

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one (CID 86267407) is 2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one is CCNc1ncc(-c2ccc(Oc3ccnc(-n4cnc(C)c4)c3)c(C)n2)c(=O)[nH]1.
What is the InChIKey of 2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is GGKMTJKMGZTJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-4-22-21-24-10-16(20(29)27-21)17-5-6-18(14(3)26-17)30-15-7-8-23-19(9-15)28-11-13(2)25-12-28/h5-12H,4H2,1-3H3,(H2,22,24,27,29).
What are the key properties of 2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 403.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-[6-methyl-5-[[2-(4-methylimidazol-1-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 86267407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).