(2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide

C17H20N4O2 — CID 128977951

IUPAC(2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2cnc(-c3ccccc3)nc2)N(C)C1
InChIInChI=1S/C17H20N4O2/c1-21-11-14(23-2)8-15(21)17(22)20-13-9-18-16(19-10-13)12-6-4-3-5-7-12/h3-7,9-10,14-15H,8,11H2,1-2H3,(H,20,22)/t14-,15-/m0/s1
InChIKeyXDETZJUTTCMWHA-GJZGRUSLSA-N
MW312.37 g/mol
LogP1.80
Rot. Bonds4

About (2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide (PubChem CID 128977951) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide
PubChem CID128977951
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2cnc(-c3ccccc3)nc2)N(C)C1
InChIInChI=1S/C17H20N4O2/c1-21-11-14(23-2)8-15(21)17(22)20-13-9-18-16(19-10-13)12-6-4-3-5-7-12/h3-7,9-10,14-15H,8,11H2,1-2H3,(H,20,22)/t14-,15-/m0/s1
InChIKeyXDETZJUTTCMWHA-GJZGRUSLSA-N
XLogP1.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide (CID 128977951) is (2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)Nc2cnc(-c3ccccc3)nc2)N(C)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is XDETZJUTTCMWHA-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21-11-14(23-2)8-15(21)17(22)20-13-9-18-16(19-10-13)12-6-4-3-5-7-12/h3-7,9-10,14-15H,8,11H2,1-2H3,(H,20,22)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 128977951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).