(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine

C11H18N4 — CID 118720433

IUPAC(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCCc1cc(N2CC[C@@H](NC)C2)ncn1
InChIInChI=1S/C11H18N4/c1-3-9-6-11(14-8-13-9)15-5-4-10(7-15)12-2/h6,8,10,12H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyRKEAGPVGAFOKGG-SNVBAGLBSA-N
MW206.29 g/mol
LogP0.84
Rot. Bonds3

About (3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine

(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine (PubChem CID 118720433) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is (3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
PubChem CID118720433
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCCc1cc(N2CC[C@@H](NC)C2)ncn1
InChIInChI=1S/C11H18N4/c1-3-9-6-11(14-8-13-9)15-5-4-10(7-15)12-2/h6,8,10,12H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyRKEAGPVGAFOKGG-SNVBAGLBSA-N
XLogP0.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine (CID 118720433) is (3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine is CCc1cc(N2CC[C@@H](NC)C2)ncn1.
What is the InChIKey of (3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is RKEAGPVGAFOKGG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-9-6-11(14-8-13-9)15-5-4-10(7-15)12-2/h6,8,10,12H,3-5,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine?
(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 118720433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).