4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one

C11H14ClN3O — CID 136975932

IUPAC4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CC3CCC2C3)c1Cl
InChIInChI=1S/C11H14ClN3O/c12-9-10(13-5-14-11(9)16)15-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H2,13,14,15,16)
InChIKeyDTYRWGPULYILAW-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.02
Rot. Bonds2

About 4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one

4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one (PubChem CID 136975932) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one
PubChem CID136975932
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CC3CCC2C3)c1Cl
InChIInChI=1S/C11H14ClN3O/c12-9-10(13-5-14-11(9)16)15-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H2,13,14,15,16)
InChIKeyDTYRWGPULYILAW-UHFFFAOYSA-N
XLogP2.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136977546
5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
CID 136975373
5-chloro-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136975353
5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136973650
5-chloro-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746838
5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973911
5-chloro-4-[(3-chloro-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 137001404
6-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-7H-purine-2,6-diamine
CID 138582572
4-(2-bicyclo[2.2.1]heptanylamino)-6-chloropyrimidine-5-carbaldehyde
CID 66369017
N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine
CID 102751237
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 79075583
5-chloro-4-(2,2-dimethylhydrazinyl)-1H-pyrimidin-6-one
CID 136976649

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one (CID 136975932) is 4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CC3CCC2C3)c1Cl.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is DTYRWGPULYILAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-9-10(13-5-14-11(9)16)15-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H2,13,14,15,16).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one?
4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 239.71 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136975932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).