[(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine

C16H17F2N7O — CID 139357655

IUPAC[(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine
SMILESNC[C@@H]1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1
InChIInChI=1S/C16H17F2N7O/c17-15(18)11-9-25-12(6-22-14(25)7-21-11)16-20-2-1-13(23-16)24-3-4-26-10(5-19)8-24/h1-2,6-7,9-10,15H,3-5,8,19H2/t10-/m1/s1
InChIKeyWJDIPAFHMZPWTN-SNVBAGLBSA-N
MW361.36 g/mol
LogP1.29
Rot. Bonds4

About [(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine

[(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine (PubChem CID 139357655) has the molecular formula C16H17F2N7O and a molecular weight of 361.36 g/mol. Its IUPAC name is [(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine
PubChem CID139357655
Molecular FormulaC16H17F2N7O
Molecular Weight361.36 g/mol
Exact Mass361.15
IUPAC Name[(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine
SMILESNC[C@@H]1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1
InChIInChI=1S/C16H17F2N7O/c17-15(18)11-9-25-12(6-22-14(25)7-21-11)16-20-2-1-13(23-16)24-3-4-26-10(5-19)8-24/h1-2,6-7,9-10,15H,3-5,8,19H2/t10-/m1/s1
InChIKeyWJDIPAFHMZPWTN-SNVBAGLBSA-N
XLogP1.29
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-N-(oxan-3-yl)-2-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-2,4-diamine
CID 128210340
(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine
CID 171359505
9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10019190
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
5-fluoro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 46175553
3-[[4-(Pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 52938508
3-[(4-Pyrimidin-2-ylmorpholin-2-yl)methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 52938636
5-[(6R)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 57386399

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine?
The IUPAC name of [(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine (CID 139357655) is [(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for [(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine?
The canonical SMILES for [(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine is NC[C@@H]1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1.
What is the InChIKey of [(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine?
The InChIKey is WJDIPAFHMZPWTN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17F2N7O/c17-15(18)11-9-25-12(6-22-14(25)7-21-11)16-20-2-1-13(23-16)24-3-4-26-10(5-19)8-24/h1-2,6-7,9-10,15H,3-5,8,19H2/t10-/m1/s1.
What are the key properties of [(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine?
[(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine has a molecular weight of 361.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 139357655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).