4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one

C12H18N2O3 — CID 116705706

IUPAC4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(C(C)C)c(=O)[nH]2)CCC1
InChIInChI=1S/C12H18N2O3/c1-7(2)8-9(15)13-11(14-10(8)16)12(17-3)5-4-6-12/h7H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyJWAPTGRDZLSMSQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.62
Rot. Bonds3

About 4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 116705706) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID116705706
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(C(C)C)c(=O)[nH]2)CCC1
InChIInChI=1S/C12H18N2O3/c1-7(2)8-9(15)13-11(14-10(8)16)12(17-3)5-4-6-12/h7H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyJWAPTGRDZLSMSQ-UHFFFAOYSA-N
XLogP1.62
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxyethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 64541089
2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 64982345
5-ethyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79201545
4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79201546
4-hydroxy-2-(2-methoxypropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 79201653
4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 79617235
5-ethyl-4-hydroxy-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166195
4-hydroxy-2-(2-methyloxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80166289
5-ethyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691642
4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80691793
5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609915
4-hydroxy-2-(1-methoxycyclopentyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 104609916

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 116705706) is 4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one is COC1(c2nc(O)c(C(C)C)c(=O)[nH]2)CCC1.
What is the InChIKey of 4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JWAPTGRDZLSMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)8-9(15)13-11(14-10(8)16)12(17-3)5-4-6-12/h7H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 116705706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).