4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine

C16H19ClN2O2 — CID 63986857

IUPAC4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine
SMILESCOCc1cccc(Oc2cnc(C(C)C)nc2CCl)c1
InChIInChI=1S/C16H19ClN2O2/c1-11(2)16-18-9-15(14(8-17)19-16)21-13-6-4-5-12(7-13)10-20-3/h4-7,9,11H,8,10H2,1-3H3
InChIKeyHTWHEMOJLRFSBJ-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.28
Rot. Bonds6

About 4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine

4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine (PubChem CID 63986857) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine
PubChem CID63986857
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine
SMILESCOCc1cccc(Oc2cnc(C(C)C)nc2CCl)c1
InChIInChI=1S/C16H19ClN2O2/c1-11(2)16-18-9-15(14(8-17)19-16)21-13-6-4-5-12(7-13)10-20-3/h4-7,9,11H,8,10H2,1-3H3
InChIKeyHTWHEMOJLRFSBJ-UHFFFAOYSA-N
XLogP4.28
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidine
CID 62088348
[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086715
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 55032605
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297328
[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62296045
4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine
CID 62088524
[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol
CID 62088149
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine
CID 104843800
2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene
CID 114062642
[5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087969
[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62089045

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine (CID 63986857) is 4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine is COCc1cccc(Oc2cnc(C(C)C)nc2CCl)c1.
What is the InChIKey of 4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine?
The InChIKey is HTWHEMOJLRFSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11(2)16-18-9-15(14(8-17)19-16)21-13-6-4-5-12(7-13)10-20-3/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of 4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine?
4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine has a molecular weight of 306.79 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 63986857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).