5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine

C16H19FN4O — CID 95804062

IUPAC5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CNCCO2)n1
InChIInChI=1S/C16H19FN4O/c1-21(2)16-19-9-13(11-3-5-12(17)6-4-11)15(20-16)14-10-18-7-8-22-14/h3-6,9,14,18H,7-8,10H2,1-2H3/t14-/m0/s1
InChIKeyGIIJFVOKZHIBEA-AWEZNQCLSA-N
MW302.35 g/mol
LogP2.01
Rot. Bonds3

About 5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine

5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine (PubChem CID 95804062) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine
PubChem CID95804062
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CNCCO2)n1
InChIInChI=1S/C16H19FN4O/c1-21(2)16-19-9-13(11-3-5-12(17)6-4-11)15(20-16)14-10-18-7-8-22-14/h3-6,9,14,18H,7-8,10H2,1-2H3/t14-/m0/s1
InChIKeyGIIJFVOKZHIBEA-AWEZNQCLSA-N
XLogP2.01
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 127248837
5-(4-fluorophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 62900568
2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine
CID 116901764
N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 175662742
[4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 92618212
cyclopentyl-[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110266500
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 79720207
2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide
CID 127248750
[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 127248794
2-cyclopentyl-1-[(2S)-2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92617854
[(2S)-2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 92617790
[(2R)-2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 92617769

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine (CID 95804062) is 5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine is CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CNCCO2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine?
The InChIKey is GIIJFVOKZHIBEA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-21(2)16-19-9-13(11-3-5-12(17)6-4-11)15(20-16)14-10-18-7-8-22-14/h3-6,9,14,18H,7-8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine?
5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine has a molecular weight of 302.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95804062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).