2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine

C15H16ClFN4O2 — CID 86633934

IUPAC2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(Cl)ncc1F
InChIInChI=1S/C15H16ClFN4O2/c1-22-13-8-10(21-4-6-23-7-5-21)2-3-12(13)19-14-11(17)9-18-15(16)20-14/h2-3,8-9H,4-7H2,1H3,(H,18,19,20)
InChIKeySZKBXHAGFGWOBI-UHFFFAOYSA-N
MW338.77 g/mol
LogP2.86
Rot. Bonds4

About 2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine (PubChem CID 86633934) has the molecular formula C15H16ClFN4O2 and a molecular weight of 338.77 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine
PubChem CID86633934
Molecular FormulaC15H16ClFN4O2
Molecular Weight338.77 g/mol
Exact Mass338.09
IUPAC Name2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(Cl)ncc1F
InChIInChI=1S/C15H16ClFN4O2/c1-22-13-8-10(21-4-6-23-7-5-21)2-3-12(13)19-14-11(17)9-18-15(16)20-14/h2-3,8-9H,4-7H2,1H3,(H,18,19,20)
InChIKeySZKBXHAGFGWOBI-UHFFFAOYSA-N
XLogP2.86
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine (CID 86633934) is 2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine is COc1cc(N2CCOCC2)ccc1Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The InChIKey is SZKBXHAGFGWOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O2/c1-22-13-8-10(21-4-6-23-7-5-21)2-3-12(13)19-14-11(17)9-18-15(16)20-14/h2-3,8-9H,4-7H2,1H3,(H,18,19,20).
What are the key properties of 2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine has a molecular weight of 338.77 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 86633934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).