(2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

C18H21N5O2 — CID 56707392

IUPAC(2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(-c2ccccc2)nc1C
InChIInChI=1S/C18H21N5O2/c1-11-14(9-21-16(22-11)12-6-4-3-5-7-12)18(25)23-10-13(19)8-15(23)17(24)20-2/h3-7,9,13,15H,8,10,19H2,1-2H3,(H,20,24)/t13-,15-/m0/s1
InChIKeyZEGOYZHPOXZAED-ZFWWWQNUSA-N
MW339.40 g/mol
LogP0.74
Rot. Bonds3

About (2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56707392) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56707392
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(-c2ccccc2)nc1C
InChIInChI=1S/C18H21N5O2/c1-11-14(9-21-16(22-11)12-6-4-3-5-7-12)18(25)23-10-13(19)8-15(23)17(24)20-2/h3-7,9,13,15H,8,10,19H2,1-2H3,(H,20,24)/t13-,15-/m0/s1
InChIKeyZEGOYZHPOXZAED-ZFWWWQNUSA-N
XLogP0.74
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.74
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-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (CID 56707392) is (2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(-c2ccccc2)nc1C.
What is the InChIKey of (2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is ZEGOYZHPOXZAED-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-14(9-21-16(22-11)12-6-4-3-5-7-12)18(25)23-10-13(19)8-15(23)17(24)20-2/h3-7,9,13,15H,8,10,19H2,1-2H3,(H,20,24)/t13-,15-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 0.74, 3 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-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56707392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).