2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one

C11H15N5O — CID 136956295

IUPAC2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCc2nccn2C)cc(=O)[nH]1
InChIInChI=1S/C11H15N5O/c1-8-14-9(7-11(17)15-8)12-4-3-10-13-5-6-16(10)2/h5-7H,3-4H2,1-2H3,(H2,12,14,15,17)
InChIKeyWUWQVUFRJJGTCN-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.47
Rot. Bonds4

About 2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one

2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136956295) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136956295
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCc2nccn2C)cc(=O)[nH]1
InChIInChI=1S/C11H15N5O/c1-8-14-9(7-11(17)15-8)12-4-3-10-13-5-6-16(10)2/h5-7H,3-4H2,1-2H3,(H2,12,14,15,17)
InChIKeyWUWQVUFRJJGTCN-UHFFFAOYSA-N
XLogP0.47
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 66327115
4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80816885
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 63587851
2,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527594
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 137015420
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 61242268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 136956295) is 2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one is Cc1nc(NCCc2nccn2C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is WUWQVUFRJJGTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-14-9(7-11(17)15-8)12-4-3-10-13-5-6-16(10)2/h5-7H,3-4H2,1-2H3,(H2,12,14,15,17).
What are the key properties of 2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 233.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).