(2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide

C14H23N5O — CID 70782458

IUPAC(2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1c1nc(C)ncc1CC
InChIInChI=1S/C14H23N5O/c1-4-10-7-17-9(3)18-13(10)19-8-11(15)6-12(19)14(20)16-5-2/h7,11-12H,4-6,8,15H2,1-3H3,(H,16,20)/t11-,12-/m0/s1
InChIKeyPUFYHDKGFAOURV-RYUDHWBXSA-N
MW277.37 g/mol
LogP0.39
Rot. Bonds4

About (2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 70782458) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID70782458
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1c1nc(C)ncc1CC
InChIInChI=1S/C14H23N5O/c1-4-10-7-17-9(3)18-13(10)19-8-11(15)6-12(19)14(20)16-5-2/h7,11-12H,4-6,8,15H2,1-3H3,(H,16,20)/t11-,12-/m0/s1
InChIKeyPUFYHDKGFAOURV-RYUDHWBXSA-N
XLogP0.39
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 70782458) is (2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1c1nc(C)ncc1CC.
What is the InChIKey of (2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is PUFYHDKGFAOURV-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23N5O/c1-4-10-7-17-9(3)18-13(10)19-8-11(15)6-12(19)14(20)16-5-2/h7,11-12H,4-6,8,15H2,1-3H3,(H,16,20)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-ethyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70782458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).