N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C11H14FN5O — CID 70756543

IUPACN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NC[C@@H]3C[C@H](F)CN3)c12
InChIInChI=1S/C11H14FN5O/c1-6-9-10(15-5-16-11(9)18-17-6)14-4-8-2-7(12)3-13-8/h5,7-8,13H,2-4H2,1H3,(H,14,15,16)/t7-,8-/m0/s1
InChIKeyZGDGBUPEPCZGCP-YUMQZZPRSA-N
MW251.26 g/mol
LogP1.04
Rot. Bonds3

About N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 70756543) has the molecular formula C11H14FN5O and a molecular weight of 251.26 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID70756543
Molecular FormulaC11H14FN5O
Molecular Weight251.26 g/mol
Exact Mass251.12
IUPAC NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NC[C@@H]3C[C@H](F)CN3)c12
InChIInChI=1S/C11H14FN5O/c1-6-9-10(15-5-16-11(9)18-17-6)14-4-8-2-7(12)3-13-8/h5,7-8,13H,2-4H2,1H3,(H,14,15,16)/t7-,8-/m0/s1
InChIKeyZGDGBUPEPCZGCP-YUMQZZPRSA-N
XLogP1.04
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 70756543) is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(NC[C@@H]3C[C@H](F)CN3)c12.
What is the InChIKey of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZGDGBUPEPCZGCP-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-6-9-10(15-5-16-11(9)18-17-6)14-4-8-2-7(12)3-13-8/h5,7-8,13H,2-4H2,1H3,(H,14,15,16)/t7-,8-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 251.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70756543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).