(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide

C19H32N6O — CID 70766730

IUPAC(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1c1nc(N2CCCC2)nc(C)c1C
InChIInChI=1S/C19H32N6O/c1-5-23(6-2)18(26)16-11-15(20)12-25(16)17-13(3)14(4)21-19(22-17)24-9-7-8-10-24/h15-16H,5-12,20H2,1-4H3/t15-,16+/m1/s1
InChIKeyLDVJFRBJJYQNJP-CVEARBPZSA-N
MW360.51 g/mol
LogP1.47
Rot. Bonds5

About (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 70766730) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID70766730
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1c1nc(N2CCCC2)nc(C)c1C
InChIInChI=1S/C19H32N6O/c1-5-23(6-2)18(26)16-11-15(20)12-25(16)17-13(3)14(4)21-19(22-17)24-9-7-8-10-24/h15-16H,5-12,20H2,1-4H3/t15-,16+/m1/s1
InChIKeyLDVJFRBJJYQNJP-CVEARBPZSA-N
XLogP1.47
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 51.47
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-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide (CID 70766730) is (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1c1nc(N2CCCC2)nc(C)c1C.
What is the InChIKey of (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is LDVJFRBJJYQNJP-CVEARBPZSA-N. The full InChI is InChI=1S/C19H32N6O/c1-5-23(6-2)18(26)16-11-15(20)12-25(16)17-13(3)14(4)21-19(22-17)24-9-7-8-10-24/h15-16H,5-12,20H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 360.51 g/mol, XLogP of 1.47, 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-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70766730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).