5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine

C10H15FN4 — CID 97164583

IUPAC5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESCN(C[C@@H]1CCNC1)c1ncc(F)cn1
InChIInChI=1S/C10H15FN4/c1-15(7-8-2-3-12-4-8)10-13-5-9(11)6-14-10/h5-6,8,12H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyLAAJCVIPLNMYJE-MRVPVSSYSA-N
MW210.26 g/mol
LogP0.66
Rot. Bonds3

About 5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine

5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine (PubChem CID 97164583) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
PubChem CID97164583
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESCN(C[C@@H]1CCNC1)c1ncc(F)cn1
InChIInChI=1S/C10H15FN4/c1-15(7-8-2-3-12-4-8)10-13-5-9(11)6-14-10/h5-6,8,12H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyLAAJCVIPLNMYJE-MRVPVSSYSA-N
XLogP0.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine (CID 97164583) is 5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine is CN(C[C@@H]1CCNC1)c1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is LAAJCVIPLNMYJE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15FN4/c1-15(7-8-2-3-12-4-8)10-13-5-9(11)6-14-10/h5-6,8,12H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of 5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 210.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 97164583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).