2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine

C11H9ClFN3O — CID 4542663

IUPAC2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1Nc1nc(Cl)ncc1F
InChIInChI=1S/C11H9ClFN3O/c1-17-9-5-3-2-4-8(9)15-10-7(13)6-14-11(12)16-10/h2-6H,1H3,(H,14,15,16)
InChIKeyQKSDUHOYIQEDPC-UHFFFAOYSA-N
MW253.66 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine (PubChem CID 4542663) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
PubChem CID4542663
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1Nc1nc(Cl)ncc1F
InChIInChI=1S/C11H9ClFN3O/c1-17-9-5-3-2-4-8(9)15-10-7(13)6-14-11(12)16-10/h2-6H,1H3,(H,14,15,16)
InChIKeyQKSDUHOYIQEDPC-UHFFFAOYSA-N
XLogP3.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
CID 170754075
2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 114043106
2-chloro-N-(4-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 79073354
5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 786847
N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107636939
5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 17311136
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine
CID 144841186
2-chloro-5-fluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22061152
6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 79080683

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine (CID 4542663) is 2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine is COc1ccccc1Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is QKSDUHOYIQEDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-17-9-5-3-2-4-8(9)15-10-7(13)6-14-11(12)16-10/h2-6H,1H3,(H,14,15,16).
What are the key properties of 2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 253.66 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 4542663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).