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

C8H10ClN3O — CID 136975373

IUPAC5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCC2)c1Cl
InChIInChI=1S/C8H10ClN3O/c9-6-7(10-4-11-8(6)13)12-5-2-1-3-5/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyKXKYQJJFQZLEAB-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.39
Rot. Bonds2

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

5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one (PubChem CID 136975373) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
PubChem CID136975373
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCC2)c1Cl
InChIInChI=1S/C8H10ClN3O/c9-6-7(10-4-11-8(6)13)12-5-2-1-3-5/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyKXKYQJJFQZLEAB-UHFFFAOYSA-N
XLogP1.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136973650
5-chloro-4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973911
5-chloro-4-[(4-ethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136974790
5-chloro-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136975353
5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977342
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-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746838
5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136955958
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
4-(2-bicyclo[2.2.1]heptanylamino)-5-chloro-1H-pyrimidin-6-one
CID 136975932
5-chloro-4-[[2-(chloromethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
CID 136971931

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one (CID 136975373) is 5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one?
The InChIKey is KXKYQJJFQZLEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-6-7(10-4-11-8(6)13)12-5-2-1-3-5/h4-5H,1-3H2,(H2,10,11,12,13).
What are the key properties of 5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one?
5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one has a molecular weight of 199.64 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136975373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).