4,6-dimethoxy-2-phenylmethoxypyrimidine

C13H14N2O3 — CID 19977712

IUPAC4,6-dimethoxy-2-phenylmethoxypyrimidine
SMILESCOc1cc(OC)nc(OCc2ccccc2)n1
InChIInChI=1S/C13H14N2O3/c1-16-11-8-12(17-2)15-13(14-11)18-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKeyNPVXJBKJPAEDDT-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.07
Rot. Bonds5

About 4,6-dimethoxy-2-phenylmethoxypyrimidine

4,6-dimethoxy-2-phenylmethoxypyrimidine (PubChem CID 19977712) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4,6-dimethoxy-2-phenylmethoxypyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-phenylmethoxypyrimidine
PubChem CID19977712
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4,6-dimethoxy-2-phenylmethoxypyrimidine
SMILESCOc1cc(OC)nc(OCc2ccccc2)n1
InChIInChI=1S/C13H14N2O3/c1-16-11-8-12(17-2)15-13(14-11)18-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKeyNPVXJBKJPAEDDT-UHFFFAOYSA-N
XLogP2.07
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-phenoxy-2-phenylmethoxypyrimidine
CID 19693906
2-bromo-4-methoxy-6-phenylmethoxypyridine
CID 21471070
6-methoxy-2,4-bis(phenylmethoxy)quinazoline
CID 18796746
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
4,6-dimethoxy-2-pyridin-2-yloxypyrimidine
CID 91802250
4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
CID 80859346
2-methoxy-6-phenylmethoxypyridin-3-amine
CID 43261924
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
7-fluoro-2-methoxy-8-phenylmethoxyquinoline
CID 68632467
2-(6-methoxy-3-phenylmethoxy-2-pyridinyl)ethanamine
CID 118905530
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
4,6-dimethoxy-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 115355116

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-phenylmethoxypyrimidine?
The IUPAC name of 4,6-dimethoxy-2-phenylmethoxypyrimidine (CID 19977712) is 4,6-dimethoxy-2-phenylmethoxypyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-phenylmethoxypyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-phenylmethoxypyrimidine is COc1cc(OC)nc(OCc2ccccc2)n1.
What is the InChIKey of 4,6-dimethoxy-2-phenylmethoxypyrimidine?
The InChIKey is NPVXJBKJPAEDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-16-11-8-12(17-2)15-13(14-11)18-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3.
What are the key properties of 4,6-dimethoxy-2-phenylmethoxypyrimidine?
4,6-dimethoxy-2-phenylmethoxypyrimidine has a molecular weight of 246.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-phenylmethoxypyrimidine is sourced from PubChem (CID 19977712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).