4-deuterio-2-methoxypyrimidine

C5H6N2O — CID 10441665

IUPAC4-deuterio-2-methoxypyrimidine
SMILES[2H]c1ccnc(OC)n1
InChIInChI=1S/C5H6N2O/c1-8-5-6-3-2-4-7-5/h2-4H,1H3/i3D
InChIKeyYLZYSVYZMDJYOT-WFVSFCRTSA-N
MW111.12 g/mol
LogP0.49
Rot. Bonds1

About 4-deuterio-2-methoxypyrimidine

4-deuterio-2-methoxypyrimidine (PubChem CID 10441665) has the molecular formula C5H6N2O and a molecular weight of 111.12 g/mol. Its IUPAC name is 4-deuterio-2-methoxypyrimidine.

Molecular Properties

Compound Name4-deuterio-2-methoxypyrimidine
PubChem CID10441665
Molecular FormulaC5H6N2O
Molecular Weight111.12 g/mol
Exact Mass111.05
IUPAC Name4-deuterio-2-methoxypyrimidine
SMILES[2H]c1ccnc(OC)n1
InChIInChI=1S/C5H6N2O/c1-8-5-6-3-2-4-7-5/h2-4H,1H3/i3D
InChIKeyYLZYSVYZMDJYOT-WFVSFCRTSA-N
XLogP0.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.12
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminopyrimidine
CID 7978
Pyrimidine
CID 9260
N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
2-Bromopyrimidine
CID 78345
2,4-Diaminopyrimidine
CID 67431
2-Cyanopyrimidine
CID 2757979
N-methylpyrimidin-2-amine
CID 265776
2-Methylpyrimidin-4-amine
CID 295763
2-Chloro-N,N-dimethylpyrimidin-4-amine
CID 95975
2-Fluoropyrimidine
CID 141643
4-Aminopyrimidine
CID 68958
2-Chloropyrimidine
CID 74404

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-2-methoxypyrimidine?
The IUPAC name of 4-deuterio-2-methoxypyrimidine (CID 10441665) is 4-deuterio-2-methoxypyrimidine.
What is the SMILES notation for 4-deuterio-2-methoxypyrimidine?
The canonical SMILES for 4-deuterio-2-methoxypyrimidine is [2H]c1ccnc(OC)n1.
What is the InChIKey of 4-deuterio-2-methoxypyrimidine?
The InChIKey is YLZYSVYZMDJYOT-WFVSFCRTSA-N. The full InChI is InChI=1S/C5H6N2O/c1-8-5-6-3-2-4-7-5/h2-4H,1H3/i3D.
What are the key properties of 4-deuterio-2-methoxypyrimidine?
4-deuterio-2-methoxypyrimidine has a molecular weight of 111.12 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-2-methoxypyrimidine is sourced from PubChem (CID 10441665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).