6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine

C9H13FN4O — CID 118936944

IUPAC6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine
SMILESCN1CC[C@@H](Oc2nc(N)cc(F)n2)C1
InChIInChI=1S/C9H13FN4O/c1-14-3-2-6(5-14)15-9-12-7(10)4-8(11)13-9/h4,6H,2-3,5H2,1H3,(H2,11,12,13)/t6-/m1/s1
InChIKeyBZNBGRZOZXDDPU-ZCFIWIBFSA-N
MW212.23 g/mol
LogP0.28
Rot. Bonds2

About 6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine

6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine (PubChem CID 118936944) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine
PubChem CID118936944
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine
SMILESCN1CC[C@@H](Oc2nc(N)cc(F)n2)C1
InChIInChI=1S/C9H13FN4O/c1-14-3-2-6(5-14)15-9-12-7(10)4-8(11)13-9/h4,6H,2-3,5H2,1H3,(H2,11,12,13)/t6-/m1/s1
InChIKeyBZNBGRZOZXDDPU-ZCFIWIBFSA-N
XLogP0.28
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-6-morpholinopyrimidin-4-amine
CID 32800029
2,4-Diamino-6-morpholinopyrimidine
CID 13249216
(((2S,4S)-1-(6-fluoropyrimidin-4-yl)-4-methoxypyrrolidin-2-yl)methyl)dimethylamine
CID 132343716
4-Fluoro-6-morpholin-4-ylpyrimidin-2-amine
CID 676530
(3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50978922
(3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol
CID 164641100
N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 171359849
2-(2-(Dimethylamino)ethoxy)-6-fluoropyrimidin-4-amine
CID 118936805
6-Fluoro-2-(2-(4-methylpiperazin-1-yl)ethoxy)pyrimidin-4-amine
CID 118936836
(Rac)-6-fluoro-2-((1-methylpiperidin-3-yl)oxy)pyrimidin-4-amine
CID 118936849
2-((4,6-difluoropyrimidin-2-yl)oxy)-N,N-dimethylethanamine
CID 118936893
6-Fluoro-2-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-amine
CID 118936947

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine?
The IUPAC name of 6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine (CID 118936944) is 6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine?
The canonical SMILES for 6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine is CN1CC[C@@H](Oc2nc(N)cc(F)n2)C1.
What is the InChIKey of 6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine?
The InChIKey is BZNBGRZOZXDDPU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13FN4O/c1-14-3-2-6(5-14)15-9-12-7(10)4-8(11)13-9/h4,6H,2-3,5H2,1H3,(H2,11,12,13)/t6-/m1/s1.
What are the key properties of 6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine?
6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine has a molecular weight of 212.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-4-amine is sourced from PubChem (CID 118936944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).