2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine

C12H20N4 — CID 95848135

IUPAC2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine
SMILESCCN1CCC[C@@]1(C)c1nc(C)cc(N)n1
InChIInChI=1S/C12H20N4/c1-4-16-7-5-6-12(16,3)11-14-9(2)8-10(13)15-11/h8H,4-7H2,1-3H3,(H2,13,14,15)/t12-/m0/s1
InChIKeyLRUWZYRVALINMH-LBPRGKRZSA-N
MW220.32 g/mol
LogP1.70
Rot. Bonds2

About 2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine

2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine (PubChem CID 95848135) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine
PubChem CID95848135
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine
SMILESCCN1CCC[C@@]1(C)c1nc(C)cc(N)n1
InChIInChI=1S/C12H20N4/c1-4-16-7-5-6-12(16,3)11-14-9(2)8-10(13)15-11/h8H,4-7H2,1-3H3,(H2,13,14,15)/t12-/m0/s1
InChIKeyLRUWZYRVALINMH-LBPRGKRZSA-N
XLogP1.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine (CID 95848135) is 2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine is CCN1CCC[C@@]1(C)c1nc(C)cc(N)n1.
What is the InChIKey of 2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine?
The InChIKey is LRUWZYRVALINMH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-16-7-5-6-12(16,3)11-14-9(2)8-10(13)15-11/h8H,4-7H2,1-3H3,(H2,13,14,15)/t12-/m0/s1.
What are the key properties of 2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine?
2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-ethyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 95848135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).