(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine

C16H16F2N6O — CID 139358298

IUPAC(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C16H16F2N6O/c1-10-9-25-5-4-23(10)13-2-3-19-16(22-13)12-6-21-14-7-20-11(15(17)18)8-24(12)14/h2-3,6-8,10,15H,4-5,9H2,1H3/t10-/m0/s1
InChIKeyXRSXEOVTDQQRHO-JTQLQIEISA-N
MW346.34 g/mol
LogP2.35
Rot. Bonds3

About (3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine

(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 139358298) has the molecular formula C16H16F2N6O and a molecular weight of 346.34 g/mol. Its IUPAC name is (3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID139358298
Molecular FormulaC16H16F2N6O
Molecular Weight346.34 g/mol
Exact Mass346.14
IUPAC Name(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C16H16F2N6O/c1-10-9-25-5-4-23(10)13-2-3-19-16(22-13)12-6-21-14-7-20-11(15(17)18)8-24(12)14/h2-3,6-8,10,15H,4-5,9H2,1H3/t10-/m0/s1
InChIKeyXRSXEOVTDQQRHO-JTQLQIEISA-N
XLogP2.35
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine with MolForge

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Related Compounds

1-(4-{4-[2-(2,4-Dimethyl-imidazol-1-yl)-pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 10136152
1-(4-{2,6-Dimethyl-4-[2-(4-methyl-imidazol-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 10157477
5-(8-Ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 127049341
5-(6-Morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine
CID 162658201
N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-N4-(1-Methylimidazol-4-Yl)-6-Morpholino-1,3,5-Triazine-2,4-Diamine
CID 67300255
4-[7-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]morpholine
CID 134848884
4-Imidazo[1,2-a]pyrimidin-3-ylmorpholine
CID 3757823
Pyrimidine, 5-fluoro-4-(4-methylimidazol-1-yl)-2-(4-morpholyl)-
CID 621876
N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10409040
N-[(1S)-1-(5-Fluoropyrimidin-2-yl)ethyl]-N'-(1-isopropyl-1H-imidazol-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 44548072
N-(1-Ethyl-1H-imidazol-4-yl)-N'-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 44548236
2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 46175368

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine (CID 139358298) is (3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine is C[C@H]1COCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1.
What is the InChIKey of (3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is XRSXEOVTDQQRHO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16F2N6O/c1-10-9-25-5-4-23(10)13-2-3-19-16(22-13)12-6-21-14-7-20-11(15(17)18)8-24(12)14/h2-3,6-8,10,15H,4-5,9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine?
(3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 346.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 139358298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).