5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine

C15H17FN4O2 — CID 786847

IUPAC5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Nc1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C15H17FN4O2/c1-21-13-5-3-2-4-12(13)18-14-11(16)10-17-15(19-14)20-6-8-22-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,18,19)
InChIKeyLWSXVFNUMJXYEJ-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.20
Rot. Bonds4

About 5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine

5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 786847) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID786847
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1Nc1nc(N2CCOCC2)ncc1F
InChIInChI=1S/C15H17FN4O2/c1-21-13-5-3-2-4-12(13)18-14-11(16)10-17-15(19-14)20-6-8-22-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,18,19)
InChIKeyLWSXVFNUMJXYEJ-UHFFFAOYSA-N
XLogP2.20
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 4542663
4-N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137683
N-(2-methoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935565
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869929
N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine
CID 745183
4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112878299
4-N-(3,4-dimethylphenyl)-2-N-(2-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580291
2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580362
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320438
2-morpholin-4-yl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112886621
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine (CID 786847) is 5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine is COc1ccccc1Nc1nc(N2CCOCC2)ncc1F.
What is the InChIKey of 5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is LWSXVFNUMJXYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-21-13-5-3-2-4-12(13)18-14-11(16)10-17-15(19-14)20-6-8-22-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,18,19).
What are the key properties of 5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 304.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 786847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).