5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine

C14H23FN4O2 — CID 164633283

IUPAC5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine
SMILESCOCCN1CC[C@H](CN(C)c2ncc(F)c(OC)n2)C1
InChIInChI=1S/C14H23FN4O2/c1-18(14-16-8-12(15)13(17-14)21-3)9-11-4-5-19(10-11)6-7-20-2/h8,11H,4-7,9-10H2,1-3H3/t11-/m1/s1
InChIKeyYUKRYCVOPOYLFJ-LLVKDONJSA-N
MW298.36 g/mol
LogP1.03
Rot. Bonds7

About 5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine

5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine (PubChem CID 164633283) has the molecular formula C14H23FN4O2 and a molecular weight of 298.36 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine
PubChem CID164633283
Molecular FormulaC14H23FN4O2
Molecular Weight298.36 g/mol
Exact Mass298.18
IUPAC Name5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine
SMILESCOCCN1CC[C@H](CN(C)c2ncc(F)c(OC)n2)C1
InChIInChI=1S/C14H23FN4O2/c1-18(14-16-8-12(15)13(17-14)21-3)9-11-4-5-19(10-11)6-7-20-2/h8,11H,4-7,9-10H2,1-3H3/t11-/m1/s1
InChIKeyYUKRYCVOPOYLFJ-LLVKDONJSA-N
XLogP1.03
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine (CID 164633283) is 5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine is COCCN1CC[C@H](CN(C)c2ncc(F)c(OC)n2)C1.
What is the InChIKey of 5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine?
The InChIKey is YUKRYCVOPOYLFJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23FN4O2/c1-18(14-16-8-12(15)13(17-14)21-3)9-11-4-5-19(10-11)6-7-20-2/h8,11H,4-7,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of 5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine?
5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine has a molecular weight of 298.36 g/mol, XLogP of 1.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 164633283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).