2-methoxy-5-(propan-2-yloxymethyl)pyrimidine

C9H14N2O2 — CID 134164833

IUPAC2-methoxy-5-(propan-2-yloxymethyl)pyrimidine
SMILESCOc1ncc(COC(C)C)cn1
InChIInChI=1S/C9H14N2O2/c1-7(2)13-6-8-4-10-9(12-3)11-5-8/h4-5,7H,6H2,1-3H3
InChIKeyXCKWSMDIMYRDRP-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.41
Rot. Bonds4

About 2-methoxy-5-(propan-2-yloxymethyl)pyrimidine

2-methoxy-5-(propan-2-yloxymethyl)pyrimidine (PubChem CID 134164833) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methoxy-5-(propan-2-yloxymethyl)pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-(propan-2-yloxymethyl)pyrimidine
PubChem CID134164833
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methoxy-5-(propan-2-yloxymethyl)pyrimidine
SMILESCOc1ncc(COC(C)C)cn1
InChIInChI=1S/C9H14N2O2/c1-7(2)13-6-8-4-10-9(12-3)11-5-8/h4-5,7H,6H2,1-3H3
InChIKeyXCKWSMDIMYRDRP-UHFFFAOYSA-N
XLogP1.41
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-(methoxymethyl)pyrimidine
CID 145431533
5-ethyl-2-methoxypyrimidine
CID 20754775
ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine
CID 171518990
5-(2-bromoethyl)-2-methoxypyrimidine
CID 126979294
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
2-methoxy-5-(1-methylsulfanylethyl)pyrimidine
CID 148642376
2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine
CID 66635090
4-(propan-2-yloxymethyl)pyridine
CID 14442204
1-(2-methoxypyrimidin-5-yl)-5-methylhexan-3-one
CID 157118625
3-(2-methoxypyrimidin-5-yl)-N-propan-2-ylpropanamide
CID 110475188
2-methoxy-5-[5-[4-(propan-2-yloxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CID 126814187
2-bromo-5-(methoxymethyl)pyrimidine
CID 162464595

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(propan-2-yloxymethyl)pyrimidine?
The IUPAC name of 2-methoxy-5-(propan-2-yloxymethyl)pyrimidine (CID 134164833) is 2-methoxy-5-(propan-2-yloxymethyl)pyrimidine.
What is the SMILES notation for 2-methoxy-5-(propan-2-yloxymethyl)pyrimidine?
The canonical SMILES for 2-methoxy-5-(propan-2-yloxymethyl)pyrimidine is COc1ncc(COC(C)C)cn1.
What is the InChIKey of 2-methoxy-5-(propan-2-yloxymethyl)pyrimidine?
The InChIKey is XCKWSMDIMYRDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(2)13-6-8-4-10-9(12-3)11-5-8/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-methoxy-5-(propan-2-yloxymethyl)pyrimidine?
2-methoxy-5-(propan-2-yloxymethyl)pyrimidine has a molecular weight of 182.22 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(propan-2-yloxymethyl)pyrimidine is sourced from PubChem (CID 134164833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).