5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine

C13H21FN4O — CID 164630566

IUPAC5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine
SMILESCOc1nc(NC[C@H]2CCCN2C(C)C)ncc1F
InChIInChI=1S/C13H21FN4O/c1-9(2)18-6-4-5-10(18)7-15-13-16-8-11(14)12(17-13)19-3/h8-10H,4-7H2,1-3H3,(H,15,16,17)/t10-/m1/s1
InChIKeyIGKWMJSEJGIETQ-SNVBAGLBSA-N
MW268.34 g/mol
LogP1.91
Rot. Bonds5

About 5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 164630566) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine
PubChem CID164630566
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine
SMILESCOc1nc(NC[C@H]2CCCN2C(C)C)ncc1F
InChIInChI=1S/C13H21FN4O/c1-9(2)18-6-4-5-10(18)7-15-13-16-8-11(14)12(17-13)19-3/h8-10H,4-7H2,1-3H3,(H,15,16,17)/t10-/m1/s1
InChIKeyIGKWMJSEJGIETQ-SNVBAGLBSA-N
XLogP1.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine (CID 164630566) is 5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine is COc1nc(NC[C@H]2CCCN2C(C)C)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is IGKWMJSEJGIETQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-9(2)18-6-4-5-10(18)7-15-13-16-8-11(14)12(17-13)19-3/h8-10H,4-7H2,1-3H3,(H,15,16,17)/t10-/m1/s1.
What are the key properties of 5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 268.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 164630566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).