2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide

C16H21N5O2 — CID 3055415

IUPAC2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N)ncc1C(=O)NCCN(C)Cc1ccccc1
InChIInChI=1S/C16H21N5O2/c1-21(11-12-6-4-3-5-7-12)9-8-18-14(22)13-10-19-16(17)20-15(13)23-2/h3-7,10H,8-9,11H2,1-2H3,(H,18,22)(H2,17,19,20)
InChIKeyHQCJGVOODMEERG-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.93
Rot. Bonds7

About 2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide

2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide (PubChem CID 3055415) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide
PubChem CID3055415
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N)ncc1C(=O)NCCN(C)Cc1ccccc1
InChIInChI=1S/C16H21N5O2/c1-21(11-12-6-4-3-5-7-12)9-8-18-14(22)13-10-19-16(17)20-15(13)23-2/h3-7,10H,8-9,11H2,1-2H3,(H,18,22)(H2,17,19,20)
InChIKeyHQCJGVOODMEERG-UHFFFAOYSA-N
XLogP0.93
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide (CID 3055415) is 2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide is COc1nc(N)ncc1C(=O)NCCN(C)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide?
The InChIKey is HQCJGVOODMEERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-21(11-12-6-4-3-5-7-12)9-8-18-14(22)13-10-19-16(17)20-15(13)23-2/h3-7,10H,8-9,11H2,1-2H3,(H,18,22)(H2,17,19,20).
What are the key properties of 2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide?
2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[benzyl(methyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 3055415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).