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

C11H10ClFN4O — CID 114840486

IUPAC6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(Cl)nc(N)n2)ccc1F
InChIInChI=1S/C11H10ClFN4O/c1-18-8-4-6(2-3-7(8)13)15-10-5-9(12)16-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyKWDGTWDSVVAJPE-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.60
Rot. Bonds3

About 6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine

6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 114840486) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID114840486
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(Cl)nc(N)n2)ccc1F
InChIInChI=1S/C11H10ClFN4O/c1-18-8-4-6(2-3-7(8)13)15-10-5-9(12)16-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyKWDGTWDSVVAJPE-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

4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine
CID 78955869
2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid
CID 114840067
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80735300
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
CID 114837203
6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 80936780
4-N-(4-chloro-3-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 107623596
N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976084
4-chloro-5-fluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,2-diamine
CID 114837240
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
CID 114837137

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine (CID 114840486) is 6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2cc(Cl)nc(N)n2)ccc1F.
What is the InChIKey of 6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is KWDGTWDSVVAJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c1-18-8-4-6(2-3-7(8)13)15-10-5-9(12)16-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine?
6-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 6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114840486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).