N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide

C13H17N5O3 — CID 45239732

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCCn1ccnc1CNC(=O)c1cc(OC)nc(OC)n1
InChIInChI=1S/C13H17N5O3/c1-4-18-6-5-14-10(18)8-15-12(19)9-7-11(20-2)17-13(16-9)21-3/h5-7H,4,8H2,1-3H3,(H,15,19)
InChIKeyHEBFLCMYFYTSTH-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.64
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide

N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide (PubChem CID 45239732) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide
PubChem CID45239732
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCCn1ccnc1CNC(=O)c1cc(OC)nc(OC)n1
InChIInChI=1S/C13H17N5O3/c1-4-18-6-5-14-10(18)8-15-12(19)9-7-11(20-2)17-13(16-9)21-3/h5-7H,4,8H2,1-3H3,(H,15,19)
InChIKeyHEBFLCMYFYTSTH-UHFFFAOYSA-N
XLogP0.64
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide (CID 45239732) is N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide is CCn1ccnc1CNC(=O)c1cc(OC)nc(OC)n1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide?
The InChIKey is HEBFLCMYFYTSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-4-18-6-5-14-10(18)8-15-12(19)9-7-11(20-2)17-13(16-9)21-3/h5-7H,4,8H2,1-3H3,(H,15,19).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide?
N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 45239732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).