4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

C11H17FN4O2 — CID 103542049

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CC(OC)C(OC)C2)n1
InChIInChI=1S/C11H17FN4O2/c1-13-11-14-4-7(12)10(15-11)16-5-8(17-2)9(6-16)18-3/h4,8-9H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyRILWOVYGLRJUPX-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.51
Rot. Bonds4

About 4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 103542049) has the molecular formula C11H17FN4O2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID103542049
Molecular FormulaC11H17FN4O2
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CC(OC)C(OC)C2)n1
InChIInChI=1S/C11H17FN4O2/c1-13-11-14-4-7(12)10(15-11)16-5-8(17-2)9(6-16)18-3/h4,8-9H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyRILWOVYGLRJUPX-UHFFFAOYSA-N
XLogP0.51
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (CID 103542049) is 4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(N2CC(OC)C(OC)C2)n1.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is RILWOVYGLRJUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2/c1-13-11-14-4-7(12)10(15-11)16-5-8(17-2)9(6-16)18-3/h4,8-9H,5-6H2,1-3H3,(H,13,14,15).
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 256.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 103542049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).