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

C12H12ClN3O3 — CID 136970505

IUPAC5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one
SMILESCOc1ccc(OC)c(Nc2nc[nH]c(=O)c2Cl)c1
InChIInChI=1S/C12H12ClN3O3/c1-18-7-3-4-9(19-2)8(5-7)16-11-10(13)12(17)15-6-14-11/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyFPYWKFKKERZESB-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.18
Rot. Bonds4

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

5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one (PubChem CID 136970505) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is 5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one
PubChem CID136970505
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Name5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one
SMILESCOc1ccc(OC)c(Nc2nc[nH]c(=O)c2Cl)c1
InChIInChI=1S/C12H12ClN3O3/c1-18-7-3-4-9(19-2)8(5-7)16-11-10(13)12(17)15-6-14-11/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyFPYWKFKKERZESB-UHFFFAOYSA-N
XLogP2.18
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970535
5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970500
4-(2,5-dimethoxyanilino)-5-nitro-1H-pyrimidin-6-one
CID 135678123
5-chloro-4-(4-methoxy-3-methylanilino)-1H-pyrimidin-6-one
CID 136971055
4-(2-chloro-5-methoxyanilino)-5-iodo-1H-pyrimidin-6-one
CID 136990136
N-(2,5-dimethoxyphenyl)-7H-purin-6-amine
CID 756650
5-chloro-4-(5-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136970766
5-chloro-4-(4-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136971034
5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one
CID 136970408
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
5-chloro-4-(2,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136971242
5-chloro-4-[(2,6-dimethyl-3-pyridinyl)amino]-1H-pyrimidin-6-one
CID 136971427

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one (CID 136970505) is 5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one is COc1ccc(OC)c(Nc2nc[nH]c(=O)c2Cl)c1.
What is the InChIKey of 5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one?
The InChIKey is FPYWKFKKERZESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c1-18-7-3-4-9(19-2)8(5-7)16-11-10(13)12(17)15-6-14-11/h3-6H,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one?
5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one has a molecular weight of 281.70 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136970505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).