2-chloro-5-phenylmethoxypyrimidine

C11H9ClN2O — CID 44558542

IUPAC2-chloro-5-phenylmethoxypyrimidine
SMILESClc1ncc(OCc2ccccc2)cn1
InChIInChI=1S/C11H9ClN2O/c12-11-13-6-10(7-14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyXOCCSJLRSSDCLM-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.71
Rot. Bonds3

About 2-chloro-5-phenylmethoxypyrimidine

2-chloro-5-phenylmethoxypyrimidine (PubChem CID 44558542) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-chloro-5-phenylmethoxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-phenylmethoxypyrimidine
PubChem CID44558542
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-chloro-5-phenylmethoxypyrimidine
SMILESClc1ncc(OCc2ccccc2)cn1
InChIInChI=1S/C11H9ClN2O/c12-11-13-6-10(7-14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyXOCCSJLRSSDCLM-UHFFFAOYSA-N
XLogP2.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-Naphthylmethoxy)pyrimidine-2,4-diamine
CID 516676
5-[(2-Chlorophenyl)methoxy]pyrimidine-2,4-diamine
CID 516671
5-(4-Benzyloxy-benzyloxy)-pyrimidine-2,4-diamine
CID 516675
5-[(4-Tert-butylphenyl)methoxy]pyrimidine-2,4-diamine
CID 516678
4-N-butyl-5-phenylmethoxypyrimidine-2,4-diamine
CID 70856091
5-Benzyloxypyrimidine-2,4-diamine
CID 516670
5-[(2,6-Dichlorophenyl)methoxy]pyrimidine-2,4-diamine
CID 516673
5-[(3,4-Dichlorophenyl)methoxy]pyrimidine-2,4-diamine
CID 516672
5-[(4-Methoxyphenyl)methoxy]pyrimidine-2,4-diamine
CID 516674
5-(2-Propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 44573562
5-(Benzyloxy)pyrimidine
CID 19745647
2-(Benzyloxy)-5-bromopyrimidine
CID 42553055

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenylmethoxypyrimidine?
The IUPAC name of 2-chloro-5-phenylmethoxypyrimidine (CID 44558542) is 2-chloro-5-phenylmethoxypyrimidine.
What is the SMILES notation for 2-chloro-5-phenylmethoxypyrimidine?
The canonical SMILES for 2-chloro-5-phenylmethoxypyrimidine is Clc1ncc(OCc2ccccc2)cn1.
What is the InChIKey of 2-chloro-5-phenylmethoxypyrimidine?
The InChIKey is XOCCSJLRSSDCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-11-13-6-10(7-14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-chloro-5-phenylmethoxypyrimidine?
2-chloro-5-phenylmethoxypyrimidine has a molecular weight of 220.66 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-phenylmethoxypyrimidine is sourced from PubChem (CID 44558542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).