2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine

C11H10ClN4O2- — CID 144695477

IUPAC2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2nc(Cl)ncc2N[O-])cc1
InChIInChI=1S/C11H10ClN4O2/c1-18-8-4-2-7(3-5-8)14-10-9(16-17)6-13-11(12)15-10/h2-6,16H,1H3,(H,13,14,15)/q-1
InChIKeyYYGRHLRENACJPY-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.79
Rot. Bonds4

About 2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine

2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine (PubChem CID 144695477) has the molecular formula C11H10ClN4O2- and a molecular weight of 265.68 g/mol. Its IUPAC name is 2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine
PubChem CID144695477
Molecular FormulaC11H10ClN4O2-
Molecular Weight265.68 g/mol
Exact Mass265.05
IUPAC Name2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2nc(Cl)ncc2N[O-])cc1
InChIInChI=1S/C11H10ClN4O2/c1-18-8-4-2-7(3-5-8)14-10-9(16-17)6-13-11(12)15-10/h2-6,16H,1H3,(H,13,14,15)/q-1
InChIKeyYYGRHLRENACJPY-UHFFFAOYSA-N
XLogP2.79
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-methoxyanilino)pyrimidine-5-carbonitrile
CID 146277764
2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11113034
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
CID 82480714
2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 59174493
5-bromo-2-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-4-amine
CID 79075751
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
2-chloro-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 89428713
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139794718
3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
CID 102749971
2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 112750193
5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 79075532
2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine
CID 87608860

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine (CID 144695477) is 2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine is COc1ccc(Nc2nc(Cl)ncc2N[O-])cc1.
What is the InChIKey of 2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine?
The InChIKey is YYGRHLRENACJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN4O2/c1-18-8-4-2-7(3-5-8)14-10-9(16-17)6-13-11(12)15-10/h2-6,16H,1H3,(H,13,14,15)/q-1.
What are the key properties of 2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine?
2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine has a molecular weight of 265.68 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine is sourced from PubChem (CID 144695477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).