5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine

C17H21FN4O — CID 145006166

IUPAC5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine
SMILESCC(C)(F)c1cnc(Nc2ccc([C@H]3CNCCO3)cc2)cn1
InChIInChI=1S/C17H21FN4O/c1-17(2,18)15-10-21-16(11-20-15)22-13-5-3-12(4-6-13)14-9-19-7-8-23-14/h3-6,10-11,14,19H,7-9H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyUHOJSKOXKCNBKB-CQSZACIVSA-N
MW316.38 g/mol
LogP3.09
Rot. Bonds4

About 5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine

5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine (PubChem CID 145006166) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine
PubChem CID145006166
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine
SMILESCC(C)(F)c1cnc(Nc2ccc([C@H]3CNCCO3)cc2)cn1
InChIInChI=1S/C17H21FN4O/c1-17(2,18)15-10-21-16(11-20-15)22-13-5-3-12(4-6-13)14-9-19-7-8-23-14/h3-6,10-11,14,19H,7-9H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyUHOJSKOXKCNBKB-CQSZACIVSA-N
XLogP3.09
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-N-phenyl-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954444
(S)-N-(4-fluorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955525
(S)-5-((2-phenylmorpholino)methyl)-N-p-tolylpyridin-2-amine
CID 24955527
5-chloro-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridin-2-amine
CID 68325393
5-bromo-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridin-2-amine
CID 68325441
5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]-4-(trifluoromethyl)pyridin-2-amine
CID 68325622
5-chloro-N-(2-fluoro-4-morpholin-2-ylphenyl)pyridin-2-amine
CID 68325682
N'-(4-((2S)-4-(6-(3-fluoropyridin-4-yl)-3-methyl-4-oxo-3H-pyrimidin-2-yl)morpholin-2-yl)phenyl)-N,N-dimethylurea
CID 11583282
5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325388
N-[4-[(2S)-morpholin-2-yl]phenyl]-4-(trifluoromethyl)pyridin-2-amine
CID 68325398
4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-propan-2-ylpyrimidin-2-amine
CID 68325419
5-chloro-N-(2-methyl-4-morpholin-2-ylphenyl)pyridin-2-amine
CID 68325421

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine (CID 145006166) is 5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine is CC(C)(F)c1cnc(Nc2ccc([C@H]3CNCCO3)cc2)cn1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine?
The InChIKey is UHOJSKOXKCNBKB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-17(2,18)15-10-21-16(11-20-15)22-13-5-3-12(4-6-13)14-9-19-7-8-23-14/h3-6,10-11,14,19H,7-9H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine?
5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine has a molecular weight of 316.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 145006166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).