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

C12H19N3O2 — CID 136868732

IUPAC4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC1CCC1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H19N3O2/c1-3-15(7-9-5-4-6-9)11-10(17-2)12(16)14-8-13-11/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyMTSNZHRGOJRSSC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.40
Rot. Bonds5

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

4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136868732) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136868732
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC1CCC1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H19N3O2/c1-3-15(7-9-5-4-6-9)11-10(17-2)12(16)14-8-13-11/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyMTSNZHRGOJRSSC-UHFFFAOYSA-N
XLogP1.40
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009788
5-methoxy-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009793
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
6-Chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one
CID 114585355
5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
CID 114586557
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696644
5-methoxy-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136868732) is 4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one is CCN(CC1CCC1)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is MTSNZHRGOJRSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15(7-9-5-4-6-9)11-10(17-2)12(16)14-8-13-11/h8-9H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136868732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).