5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one

C11H9Cl2N3O2 — CID 136970535

IUPAC5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
SMILESCOc1ccc(Cl)cc1Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H9Cl2N3O2/c1-18-8-3-2-6(12)4-7(8)16-10-9(13)11(17)15-5-14-10/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyMFXIEYIBBWTCHX-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.83
Rot. Bonds3

About 5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one

5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one (PubChem CID 136970535) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is 5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
PubChem CID136970535
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Name5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
SMILESCOc1ccc(Cl)cc1Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H9Cl2N3O2/c1-18-8-3-2-6(12)4-7(8)16-10-9(13)11(17)15-5-14-10/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyMFXIEYIBBWTCHX-UHFFFAOYSA-N
XLogP2.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one
CID 136970505
5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970500
5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one
CID 136970408
N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69190382
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
4-(2,5-dimethoxyanilino)-5-nitro-1H-pyrimidin-6-one
CID 135678123
5-chloro-4-[(2,6-dimethyl-3-pyridinyl)amino]-1H-pyrimidin-6-one
CID 136971427
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one
CID 136970599
5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676044
5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 135568342
3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile
CID 62684861

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one (CID 136970535) is 5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one is COc1ccc(Cl)cc1Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one?
The InChIKey is MFXIEYIBBWTCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-18-8-3-2-6(12)4-7(8)16-10-9(13)11(17)15-5-14-10/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one?
5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one has a molecular weight of 286.12 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136970535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).