5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one

C12H18ClN3O — CID 136973650

IUPAC5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCCCCC2)c1Cl
InChIInChI=1S/C12H18ClN3O/c13-10-11(14-8-15-12(10)17)16-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,14,15,16,17)
InChIKeyIJXXRRTVKDGDJG-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.95
Rot. Bonds2

About 5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one

5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one (PubChem CID 136973650) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one
PubChem CID136973650
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCCCCC2)c1Cl
InChIInChI=1S/C12H18ClN3O/c13-10-11(14-8-15-12(10)17)16-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,14,15,16,17)
InChIKeyIJXXRRTVKDGDJG-UHFFFAOYSA-N
XLogP2.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
CID 136975373
5-chloro-4-[(4-ethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136974790
5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973911
5-chloro-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136975353
5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136955958
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
5-chloro-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746838
4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136977546
ethyl 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 136973814
5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977342
5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136974194
4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one
CID 136975932

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one (CID 136973650) is 5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCCCCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one?
The InChIKey is IJXXRRTVKDGDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-10-11(14-8-15-12(10)17)16-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,14,15,16,17).
What are the key properties of 5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one?
5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one has a molecular weight of 255.75 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).