2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide

C15H21N5O — CID 50955657

IUPAC2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1cnc(CC)nc1
InChIInChI=1S/C15H21N5O/c1-4-7-20(11-14-16-6-8-19(14)3)15(21)12-9-17-13(5-2)18-10-12/h6,8-10H,4-5,7,11H2,1-3H3
InChIKeyPHEWWSPBJIGICP-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.82
Rot. Bonds6

About 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide

2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide (PubChem CID 50955657) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide
PubChem CID50955657
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1cnc(CC)nc1
InChIInChI=1S/C15H21N5O/c1-4-7-20(11-14-16-6-8-19(14)3)15(21)12-9-17-13(5-2)18-10-12/h6,8-10H,4-5,7,11H2,1-3H3
InChIKeyPHEWWSPBJIGICP-UHFFFAOYSA-N
XLogP1.82
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopentylamino)-2-(3-imidazol-1-ylpropylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45489049
2-(3-imidazol-1-ylpropylamino)-N-(2-methylpropyl)-4-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 45489169
1,3-Dimethyl-5-[1-(pyrimidin-2-ylmethyl)imidazol-2-yl]pyridin-2-one
CID 134308362
1,3-Dimethyl-5-[1-(pyrimidin-5-ylmethyl)imidazol-2-yl]pyridin-2-one
CID 134316214
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53602016
(1-Methylpyrazol-4-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53614117
2-methoxy-5-[1-(3-methoxypropyl)-1H-imidazol-2-yl]pyrimidine
CID 56749148
2-[2-(2-methoxypyrimidin-5-yl)-1H-imidazol-1-yl]-N,N-dimethylethanamine
CID 56869757
2-ethyl-5-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)pyrimidine
CID 70781196
2-ethyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-5-pyrimidinecarboxamide
CID 72876341
[3-[(2-Methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110258822
Pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110466942

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide (CID 50955657) is 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide is CCCN(Cc1nccn1C)C(=O)c1cnc(CC)nc1.
What is the InChIKey of 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide?
The InChIKey is PHEWWSPBJIGICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-7-20(11-14-16-6-8-19(14)3)15(21)12-9-17-13(5-2)18-10-12/h6,8-10H,4-5,7,11H2,1-3H3.
What are the key properties of 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide?
2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 50955657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).