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

C17H23N5O2 — CID 3055414

IUPAC2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCN(CCNC(=O)c1cnc(N)nc1OC)Cc1ccccc1
InChIInChI=1S/C17H23N5O2/c1-3-22(12-13-7-5-4-6-8-13)10-9-19-15(23)14-11-20-17(18)21-16(14)24-2/h4-8,11H,3,9-10,12H2,1-2H3,(H,19,23)(H2,18,20,21)
InChIKeyZOTASJSDCXLHRR-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.32
Rot. Bonds8

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

2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide (PubChem CID 3055414) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide
PubChem CID3055414
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCN(CCNC(=O)c1cnc(N)nc1OC)Cc1ccccc1
InChIInChI=1S/C17H23N5O2/c1-3-22(12-13-7-5-4-6-8-13)10-9-19-15(23)14-11-20-17(18)21-16(14)24-2/h4-8,11H,3,9-10,12H2,1-2H3,(H,19,23)(H2,18,20,21)
InChIKeyZOTASJSDCXLHRR-UHFFFAOYSA-N
XLogP1.32
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-(2-(methyl(phenylmethyl)amino)ethyl)-
CID 3055415
2-cyano-4-(cyclohexylmethoxy)-N-phenethylpyrimidine-5-carboxamide
CID 44587829
N-(2-acetamidoethyl)-4-(cyclopentylamino)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 71553008
4-(cyclopentylamino)-N-[4-(dimethylamino)butyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 71553010
1-[(3,4-difluorophenyl)methyl]-N-[6-[(4-methoxypyrimidin-2-yl)amino]hex-3-ynyl]-2-oxopyridine-3-carboxamide
CID 59362387
1-[(3,4-difluorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pent-2-ynyl]-2-oxopyridine-3-carboxamide
CID 59362434
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-[(4-methoxypyrimidin-2-yl)amino]hex-3-ynyl]-2-oxopyridine-3-carboxamide
CID 134185439
US11033539, Cpd. No. 4-27
CID 162370202
5-Pyrimidinecarboxamide, N-(1-benzyl-4-piperidyl)-4-methoxy-2-(methylamino)-
CID 3055407
5-Pyrimidinecarboxamide, 2-amino-N-(1-benzyl-4-piperidyl)-4-methoxy-
CID 3055418
5-Pyrimidinecarboxamide, N-(1-benzyl-4-piperidyl)-4-methoxy-
CID 3055421
5-Pyrimidinecarboxamide, 2-amino-N-((1-benzyl-2-pyrrolidinyl)methyl)-4-methoxy-
CID 3055422

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide (CID 3055414) is 2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide is CCN(CCNC(=O)c1cnc(N)nc1OC)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide?
The InChIKey is ZOTASJSDCXLHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-22(12-13-7-5-4-6-8-13)10-9-19-15(23)14-11-20-17(18)21-16(14)24-2/h4-8,11H,3,9-10,12H2,1-2H3,(H,19,23)(H2,18,20,21).
What are the key properties of 2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide?
2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.32, 8 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(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 3055414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).