(2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide

C15H26N6O — CID 70775966

IUPAC(2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1c1cc(CC)nc(N(C)C)n1
InChIInChI=1S/C15H26N6O/c1-5-11-8-13(19-15(18-11)20(3)4)21-9-10(16)7-12(21)14(22)17-6-2/h8,10,12H,5-7,9,16H2,1-4H3,(H,17,22)/t10-,12-/m0/s1
InChIKeyOANMKNXBOUSENG-JQWIXIFHSA-N
MW306.41 g/mol
LogP0.15
Rot. Bonds5

About (2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 70775966) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide
PubChem CID70775966
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name(2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1c1cc(CC)nc(N(C)C)n1
InChIInChI=1S/C15H26N6O/c1-5-11-8-13(19-15(18-11)20(3)4)21-9-10(16)7-12(21)14(22)17-6-2/h8,10,12H,5-7,9,16H2,1-4H3,(H,17,22)/t10-,12-/m0/s1
InChIKeyOANMKNXBOUSENG-JQWIXIFHSA-N
XLogP0.15
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide (CID 70775966) is (2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1c1cc(CC)nc(N(C)C)n1.
What is the InChIKey of (2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is OANMKNXBOUSENG-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H26N6O/c1-5-11-8-13(19-15(18-11)20(3)4)21-9-10(16)7-12(21)14(22)17-6-2/h8,10,12H,5-7,9,16H2,1-4H3,(H,17,22)/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70775966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).