4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine

C12H18N2O3 — CID 116731031

IUPAC4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine
SMILESCOC(OC)c1ccnc(C2(OC)CCC2)n1
InChIInChI=1S/C12H18N2O3/c1-15-10(16-2)9-5-8-13-11(14-9)12(17-3)6-4-7-12/h5,8,10H,4,6-7H2,1-3H3
InChIKeyAEQYSZGUKDCXPQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.79
Rot. Bonds5

About 4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine

4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine (PubChem CID 116731031) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine
PubChem CID116731031
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine
SMILESCOC(OC)c1ccnc(C2(OC)CCC2)n1
InChIInChI=1S/C12H18N2O3/c1-15-10(16-2)9-5-8-13-11(14-9)12(17-3)6-4-7-12/h5,8,10H,4,6-7H2,1-3H3
InChIKeyAEQYSZGUKDCXPQ-UHFFFAOYSA-N
XLogP1.79
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine
CID 116778439
2-(1-methoxycyclobutyl)pyrimidin-4-amine
CID 116728675
2-(1-methoxycyclohexyl)pyrimidine-4-carbaldehyde
CID 116778370
N-[[2-(1-methoxycycloheptyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778527
(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431417
2-cyclohexyl-4-(dimethoxymethyl)pyrimidine
CID 115531674
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidine
CID 116745761
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole
CID 116744684
4-(dimethoxymethyl)-2-(1-methoxyethyl)pyrimidine
CID 115531727
N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 116778544
2-(1-methoxycyclobutyl)pyrimidin-5-amine
CID 116705146
sodium 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine
CID 22722063

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine (CID 116731031) is 4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine is COC(OC)c1ccnc(C2(OC)CCC2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine?
The InChIKey is AEQYSZGUKDCXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-15-10(16-2)9-5-8-13-11(14-9)12(17-3)6-4-7-12/h5,8,10H,4,6-7H2,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine?
4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine has a molecular weight of 238.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine is sourced from PubChem (CID 116731031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).