(2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

C15H23N5O3 — CID 56720191

IUPAC(2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(OC)nc1
InChIInChI=1S/C15H23N5O3/c1-4-19(5-2)14(22)12-6-11(16)9-20(12)13(21)10-7-17-15(23-3)18-8-10/h7-8,11-12H,4-6,9,16H2,1-3H3/t11-,12-/m0/s1
InChIKeyLEKUIUCRIMMERP-RYUDHWBXSA-N
MW321.38 g/mol
LogP-0.10
Rot. Bonds5

About (2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56720191) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56720191
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name(2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(OC)nc1
InChIInChI=1S/C15H23N5O3/c1-4-19(5-2)14(22)12-6-11(16)9-20(12)13(21)10-7-17-15(23-3)18-8-10/h7-8,11-12H,4-6,9,16H2,1-3H3/t11-,12-/m0/s1
InChIKeyLEKUIUCRIMMERP-RYUDHWBXSA-N
XLogP-0.10
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (CID 56720191) is (2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(OC)nc1.
What is the InChIKey of (2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is LEKUIUCRIMMERP-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-4-19(5-2)14(22)12-6-11(16)9-20(12)13(21)10-7-17-15(23-3)18-8-10/h7-8,11-12H,4-6,9,16H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56720191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).