4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine

C18H23FN8 — CID 129001893

IUPAC4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNCc2cnc3cnccn23)n1
InChIInChI=1S/C18H23FN8/c1-25(2)18-22-4-3-16(24-18)27-12-13(19)7-14(27)8-21-9-15-10-23-17-11-20-5-6-26(15)17/h3-6,10-11,13-14,21H,7-9,12H2,1-2H3/t13-,14-/m0/s1
InChIKeyBITOFYYBDKHDOQ-KBPBESRZSA-N
MW370.44 g/mol
LogP1.29
Rot. Bonds6

About 4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine

4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 129001893) has the molecular formula C18H23FN8 and a molecular weight of 370.44 g/mol. Its IUPAC name is 4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID129001893
Molecular FormulaC18H23FN8
Molecular Weight370.44 g/mol
Exact Mass370.20
IUPAC Name4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNCc2cnc3cnccn23)n1
InChIInChI=1S/C18H23FN8/c1-25(2)18-22-4-3-16(24-18)27-12-13(19)7-14(27)8-21-9-15-10-23-17-11-20-5-6-26(15)17/h3-6,10-11,13-14,21H,7-9,12H2,1-2H3/t13-,14-/m0/s1
InChIKeyBITOFYYBDKHDOQ-KBPBESRZSA-N
XLogP1.29
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-(1-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 89720115
9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine
CID 71518533
2-chloro-9-propan-2-yl-N-pyrimidin-2-ylpurin-6-amine
CID 71517518
2-chloro-9-propan-2-yl-N-pyrimidin-4-ylpurin-6-amine
CID 71517519
1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H,1'H-2,4'-biimidazole
CID 70781125
N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 71933042
6-[2-[[(1-ethylimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 72144334
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-1-(9H-purin-6-yl)piperidin-4-amine
CID 72842659
(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine
CID 171359505
N-cyclopropyl-9-[2-(ethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
CID 9975994
9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10042739
N-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
CID 10044293

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine (CID 129001893) is 4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNCc2cnc3cnccn23)n1.
What is the InChIKey of 4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is BITOFYYBDKHDOQ-KBPBESRZSA-N. The full InChI is InChI=1S/C18H23FN8/c1-25(2)18-22-4-3-16(24-18)27-12-13(19)7-14(27)8-21-9-15-10-23-17-11-20-5-6-26(15)17/h3-6,10-11,13-14,21H,7-9,12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 370.44 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 129001893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).