5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one

C9H10ClN5O — CID 136974702

IUPAC5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCn2ccnc2)c1Cl
InChIInChI=1S/C9H10ClN5O/c10-7-8(13-5-14-9(7)16)12-2-4-15-3-1-11-6-15/h1,3,5-6H,2,4H2,(H2,12,13,14,16)
InChIKeyZMLLGQZLYPFLEI-UHFFFAOYSA-N
MW239.67 g/mol
LogP0.73
Rot. Bonds4

About 5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one

5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136974702) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is 5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136974702
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC Name5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCn2ccnc2)c1Cl
InChIInChI=1S/C9H10ClN5O/c10-7-8(13-5-14-9(7)16)12-2-4-15-3-1-11-6-15/h1,3,5-6H,2,4H2,(H2,12,13,14,16)
InChIKeyZMLLGQZLYPFLEI-UHFFFAOYSA-N
XLogP0.73
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(4-imidazol-1-ylbutylamino)-1H-pyrimidin-6-one
CID 136975184
5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977852
5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975621
5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one
CID 78913344
5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one
CID 115576990
5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one
CID 136976977
5-bromo-3-fluoro-N-(2-imidazol-1-ylethyl)pyridin-2-amine
CID 104923734
5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136908662
5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973947
4-[[(E)-but-2-enyl]amino]-5-chloro-1H-pyrimidin-6-one
CID 137259056
5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one
CID 114582975
5-chloro-4-[2-(4-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
CID 136975879

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one (CID 136974702) is 5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCn2ccnc2)c1Cl.
What is the InChIKey of 5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is ZMLLGQZLYPFLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c10-7-8(13-5-14-9(7)16)12-2-4-15-3-1-11-6-15/h1,3,5-6H,2,4H2,(H2,12,13,14,16).
What are the key properties of 5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 239.67 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136974702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).