2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one

C10H13N5O — CID 136975975

IUPAC2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCc2ncc[nH]2)cc(=O)[nH]1
InChIInChI=1S/C10H13N5O/c1-2-7-14-8(5-10(16)15-7)13-6-9-11-3-4-12-9/h3-5H,2,6H2,1H3,(H,11,12)(H2,13,14,15,16)
InChIKeyDYMLFOBNVNAIJD-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.67
Rot. Bonds4

About 2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one

2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136975975) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136975975
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCc2ncc[nH]2)cc(=O)[nH]1
InChIInChI=1S/C10H13N5O/c1-2-7-14-8(5-10(16)15-7)13-6-9-11-3-4-12-9/h3-5H,2,6H2,1H3,(H,11,12)(H2,13,14,15,16)
InChIKeyDYMLFOBNVNAIJD-UHFFFAOYSA-N
XLogP0.67
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 137016687
2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136976617
2-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
CID 136975649
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
2-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975306
4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one
CID 137273825
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
4-[(3-bromothiophen-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136976445
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanamide
CID 136974611
4-[(3-chloro-4-fluorophenyl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136975453

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one (CID 136975975) is 2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one is CCc1nc(NCc2ncc[nH]2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is DYMLFOBNVNAIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-7-14-8(5-10(16)15-7)13-6-9-11-3-4-12-9/h3-5H,2,6H2,1H3,(H,11,12)(H2,13,14,15,16).
What are the key properties of 2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 219.25 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136975975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).