6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline

C11H12Cl2N4O3 — CID 70633784

IUPAC6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline
SMILESCOc1cc(Cl)c(Cl)cc1N.Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H7Cl2NO.C4H5N3O2/c1-11-7-3-5(9)4(8)2-6(7)10;5-2-1-3(8)7-4(9)6-2/h2-3H,10H2,1H3;1H,(H4,5,6,7,8,9)
InChIKeyZFGBPBYCEOKKGM-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.23
Rot. Bonds1

About 6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline

6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline (PubChem CID 70633784) has the molecular formula C11H12Cl2N4O3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline.

Molecular Properties

Compound Name6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline
PubChem CID70633784
Molecular FormulaC11H12Cl2N4O3
Molecular Weight319.15 g/mol
Exact Mass318.03
IUPAC Name6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline
SMILESCOc1cc(Cl)c(Cl)cc1N.Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H7Cl2NO.C4H5N3O2/c1-11-7-3-5(9)4(8)2-6(7)10;5-2-1-3(8)7-4(9)6-2/h2-3H,10H2,1H3;1H,(H4,5,6,7,8,9)
InChIKeyZFGBPBYCEOKKGM-UHFFFAOYSA-N
XLogP1.23
TPSA126.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-1H-pyrimidine-2,4-dione;cyclopropane
CID 174382000
2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54032840
5-bromo-4-chloro-2-methoxyaniline
CID 75537158
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
CID 118162049
4-(2-amino-4,5-dichlorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 107501039
5-amino-2-chloro-4-methoxybenzenesulfonic acid
CID 154102437
6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 82475448
4-butoxy-5-chloro-2-methoxyaniline
CID 131848144
(4-amino-2-chloro-5-methoxyphenyl)methanol
CID 96834541
3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enal
CID 169459460

Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline?
The IUPAC name of 6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline (CID 70633784) is 6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline.
What is the SMILES notation for 6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline?
The canonical SMILES for 6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline is COc1cc(Cl)c(Cl)cc1N.Nc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline?
The InChIKey is ZFGBPBYCEOKKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO.C4H5N3O2/c1-11-7-3-5(9)4(8)2-6(7)10;5-2-1-3(8)7-4(9)6-2/h2-3H,10H2,1H3;1H,(H4,5,6,7,8,9).
What are the key properties of 6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline?
6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline has a molecular weight of 319.15 g/mol, XLogP of 1.23, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline is sourced from PubChem (CID 70633784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).