4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one

C17H19N5O2 — CID 57394625

IUPAC4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one
SMILESCOc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O
InChIInChI=1S/C17H19N5O2/c1-24-15-5-3-2-4-13(15)11-22-9-7-16(21-17(22)23)19-8-6-14-10-18-12-20-14/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,18,20)(H,19,21,23)
InChIKeyZQXUXSWEXYSYLK-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.68
Rot. Bonds7

About 4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one

4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one (PubChem CID 57394625) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one
PubChem CID57394625
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one
SMILESCOc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O
InChIInChI=1S/C17H19N5O2/c1-24-15-5-3-2-4-13(15)11-22-9-7-16(21-17(22)23)19-8-6-14-10-18-12-20-14/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,18,20)(H,19,21,23)
InChIKeyZQXUXSWEXYSYLK-UHFFFAOYSA-N
XLogP1.68
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one?
The IUPAC name of 4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one (CID 57394625) is 4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one.
What is the SMILES notation for 4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one?
The canonical SMILES for 4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one is COc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O.
What is the InChIKey of 4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one?
The InChIKey is ZQXUXSWEXYSYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-24-15-5-3-2-4-13(15)11-22-9-7-16(21-17(22)23)19-8-6-14-10-18-12-20-14/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,18,20)(H,19,21,23).
What are the key properties of 4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one?
4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one has a molecular weight of 325.37 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one is sourced from PubChem (CID 57394625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).