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

C17H19F2N7 — CID 139357659

IUPAC[(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine
SMILESNC[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C17H19F2N7/c18-16(19)12-10-26-13(7-23-15(26)8-22-12)17-21-4-3-14(24-17)25-5-1-2-11(6-20)9-25/h3-4,7-8,10-11,16H,1-2,5-6,9,20H2/t11-/m1/s1
InChIKeyGIEKUCILPZHJGR-LLVKDONJSA-N
MW359.38 g/mol
LogP2.30
Rot. Bonds4

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

[(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine (PubChem CID 139357659) has the molecular formula C17H19F2N7 and a molecular weight of 359.38 g/mol. Its IUPAC name is [(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine
PubChem CID139357659
Molecular FormulaC17H19F2N7
Molecular Weight359.38 g/mol
Exact Mass359.17
IUPAC Name[(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine
SMILESNC[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C17H19F2N7/c18-16(19)12-10-26-13(7-23-15(26)8-22-12)17-21-4-3-14(24-17)25-5-1-2-11(6-20)9-25/h3-4,7-8,10-11,16H,1-2,5-6,9,20H2/t11-/m1/s1
InChIKeyGIEKUCILPZHJGR-LLVKDONJSA-N
XLogP2.30
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)-7H-purin-6-amine
CID 119041152
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
4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 129001893
N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 164642198
(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine
CID 171359505
9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10042739
N-cyclopropyl-9-(2-piperazin-1-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10386552
6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 67300326
9-(2-methylpyrimidin-4-yl)-N-propyl-2-(trifluoromethyl)purin-8-amine
CID 91231470
2-N-tert-butyl-9-(2-piperazin-1-ylethyl)-8-N-[3-(trifluoromethyl)cyclohexyl]purine-2,8-diamine
CID 132207068
2-N-tert-butyl-9-(piperidin-4-ylmethyl)-8-N-[3-(trifluoromethyl)cyclohexyl]purine-2,8-diamine
CID 132207069
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide
CID 139343257

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine?
The IUPAC name of [(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine (CID 139357659) is [(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine is NC[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of [(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine?
The InChIKey is GIEKUCILPZHJGR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19F2N7/c18-16(19)12-10-26-13(7-23-15(26)8-22-12)17-21-4-3-14(24-17)25-5-1-2-11(6-20)9-25/h3-4,7-8,10-11,16H,1-2,5-6,9,20H2/t11-/m1/s1.
What are the key properties of [(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine?
[(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine has a molecular weight of 359.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 139357659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).