2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine

C14H15ClN2O — CID 170747061

IUPAC2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine
SMILESCC(C)c1ccc(OCc2ncccn2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-10(2)11-4-5-13(12(15)8-11)18-9-14-16-6-3-7-17-14/h3-8,10H,9H2,1-2H3
InChIKeyNDLBLPCZCGJVIZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.83
Rot. Bonds4

About 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine

2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine (PubChem CID 170747061) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine
PubChem CID170747061
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine
SMILESCC(C)c1ccc(OCc2ncccn2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-10(2)11-4-5-13(12(15)8-11)18-9-14-16-6-3-7-17-14/h3-8,10H,9H2,1-2H3
InChIKeyNDLBLPCZCGJVIZ-UHFFFAOYSA-N
XLogP3.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine
CID 154993538
5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine
CID 170746947
2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62697877
2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
CID 146440815
2-chloro-1-(2-fluoro-2-methylpropoxy)-4-propan-2-ylbenzene
CID 121387225
6-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine-3-carbonitrile
CID 170746832
1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine
CID 62911734
N-[1-(3-chloro-4-phenylmethoxyphenyl)ethyl]propan-1-amine
CID 63533463
(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389810
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758
2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
CID 137421499
2-[3-chloro-4-(6-propan-2-ylnaphthalen-2-yl)oxyphenoxy]pyridine
CID 91366744

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine?
The IUPAC name of 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine (CID 170747061) is 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine.
What is the SMILES notation for 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine?
The canonical SMILES for 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine is CC(C)c1ccc(OCc2ncccn2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine?
The InChIKey is NDLBLPCZCGJVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10(2)11-4-5-13(12(15)8-11)18-9-14-16-6-3-7-17-14/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine?
2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine has a molecular weight of 262.74 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine is sourced from PubChem (CID 170747061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).