2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one

C11H15N5O — CID 137016687

IUPAC2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCc2ncc[nH]2)cc(=O)[nH]1
InChIInChI=1S/C11H15N5O/c1-2-8-15-10(7-11(17)16-8)12-4-3-9-13-5-6-14-9/h5-7H,2-4H2,1H3,(H,13,14)(H2,12,15,16,17)
InChIKeyNWMMZYPVFALWQD-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.71
Rot. Bonds5

About 2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one

2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 137016687) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID137016687
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCc2ncc[nH]2)cc(=O)[nH]1
InChIInChI=1S/C11H15N5O/c1-2-8-15-10(7-11(17)16-8)12-4-3-9-13-5-6-14-9/h5-7H,2-4H2,1H3,(H,13,14)(H2,12,15,16,17)
InChIKeyNWMMZYPVFALWQD-UHFFFAOYSA-N
XLogP0.71
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136975975
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 137016410
4-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzoic acid
CID 136958484
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417
2-ethyl-4-(pent-4-ynylamino)-1H-pyrimidin-6-one
CID 136882486
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate
CID 136976721
2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one
CID 136975212
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958362

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 137016687) is 2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one is CCc1nc(NCCc2ncc[nH]2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is NWMMZYPVFALWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-8-15-10(7-11(17)16-8)12-4-3-9-13-5-6-14-9/h5-7H,2-4H2,1H3,(H,13,14)(H2,12,15,16,17).
What are the key properties of 2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 233.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).