3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide

C19H25N5O2 — CID 118793940

IUPAC3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
SMILESCCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccc(-c2cc(C)nc(N)n2)c1
InChIInChI=1S/C19H25N5O2/c1-4-26-17-11-24(3)10-16(17)22-18(25)14-7-5-6-13(9-14)15-8-12(2)21-19(20)23-15/h5-9,16-17H,4,10-11H2,1-3H3,(H,22,25)(H2,20,21,23)/t16-,17-/m0/s1
InChIKeyFAORGRJTLKETDN-IRXDYDNUSA-N
MW355.44 g/mol
LogP1.48
Rot. Bonds5

About 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide

3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide (PubChem CID 118793940) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
PubChem CID118793940
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
SMILESCCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccc(-c2cc(C)nc(N)n2)c1
InChIInChI=1S/C19H25N5O2/c1-4-26-17-11-24(3)10-16(17)22-18(25)14-7-5-6-13(9-14)15-8-12(2)21-19(20)23-15/h5-9,16-17H,4,10-11H2,1-3H3,(H,22,25)(H2,20,21,23)/t16-,17-/m0/s1
InChIKeyFAORGRJTLKETDN-IRXDYDNUSA-N
XLogP1.48
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 133265917
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-3-(2-oxo-1,3-dihydroindol-6-yl)benzamide;formic acid
CID 154908400
3,5-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-4-methylbenzamide
CID 72926011
2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 91783951
3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 118783405
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 91836549
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131926128
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 133266460
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide
CID 133266039
3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 118775753
3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol
CID 133122396
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56752617

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide (CID 118793940) is 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide is CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccc(-c2cc(C)nc(N)n2)c1.
What is the InChIKey of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide?
The InChIKey is FAORGRJTLKETDN-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-26-17-11-24(3)10-16(17)22-18(25)14-7-5-6-13(9-14)15-8-12(2)21-19(20)23-15/h5-9,16-17H,4,10-11H2,1-3H3,(H,22,25)(H2,20,21,23)/t16-,17-/m0/s1.
What are the key properties of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide?
3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 118793940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).