(2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide

C17H30N6O — CID 70727940

IUPAC(2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1c1nc(N(C)C)nc(C)c1C
InChIInChI=1S/C17H30N6O/c1-7-22(8-2)16(24)14-9-13(18)10-23(14)15-11(3)12(4)19-17(20-15)21(5)6/h13-14H,7-10,18H2,1-6H3/t13-,14+/m1/s1
InChIKeyLPJXMLBEAZLTCV-KGLIPLIRSA-N
MW334.47 g/mol
LogP0.93
Rot. Bonds5

About (2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 70727940) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID70727940
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name(2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1c1nc(N(C)C)nc(C)c1C
InChIInChI=1S/C17H30N6O/c1-7-22(8-2)16(24)14-9-13(18)10-23(14)15-11(3)12(4)19-17(20-15)21(5)6/h13-14H,7-10,18H2,1-6H3/t13-,14+/m1/s1
InChIKeyLPJXMLBEAZLTCV-KGLIPLIRSA-N
XLogP0.93
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide (CID 70727940) is (2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1c1nc(N(C)C)nc(C)c1C.
What is the InChIKey of (2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is LPJXMLBEAZLTCV-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H30N6O/c1-7-22(8-2)16(24)14-9-13(18)10-23(14)15-11(3)12(4)19-17(20-15)21(5)6/h13-14H,7-10,18H2,1-6H3/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70727940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).