5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one

C11H16ClN3O — CID 136716231

IUPAC5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CC1CCC1)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-2-15(6-8-4-3-5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyMYIWWZNJAFXVFM-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds4

About 5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136716231) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
PubChem CID136716231
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CC1CCC1)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-2-15(6-8-4-3-5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyMYIWWZNJAFXVFM-UHFFFAOYSA-N
XLogP2.05
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701813
4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
CID 136704106
5-bromo-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716229
4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
5-chloro-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731873
5-chloro-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750469
5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768843
5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780736
N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792776
5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805330
5-chloro-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805366
4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136829851

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one (CID 136716231) is 5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one is CCN(CC1CCC1)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is MYIWWZNJAFXVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-15(6-8-4-3-5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 241.72 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136716231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).