5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine

C11H10ClFN4O — CID 114841159

IUPAC5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(N)ncc2Cl)ccc1F
InChIInChI=1S/C11H10ClFN4O/c1-18-9-4-6(2-3-8(9)13)16-10-7(12)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyXGHACLVCSOCSJN-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.60
Rot. Bonds3

About 5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine

5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 114841159) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID114841159
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(N)ncc2Cl)ccc1F
InChIInChI=1S/C11H10ClFN4O/c1-18-9-4-6(2-3-8(9)13)16-10-7(12)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyXGHACLVCSOCSJN-UHFFFAOYSA-N
XLogP2.60
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 80761203
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80769033
6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine
CID 114841178
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114840486
2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
CID 114837203
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114841210
4-chloro-5-fluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,2-diamine
CID 114837240
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
CID 114837137
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-2-chlorobenzonitrile
CID 112736241

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine (CID 114841159) is 5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2nc(N)ncc2Cl)ccc1F.
What is the InChIKey of 5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is XGHACLVCSOCSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c1-18-9-4-6(2-3-8(9)13)16-10-7(12)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 268.68 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114841159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).