5-phenylmethoxypyrimidine

C11H10N2O — CID 19745647

IUPAC5-phenylmethoxypyrimidine
SMILESc1ccc(COc2cncnc2)cc1
InChIInChI=1S/C11H10N2O/c1-2-4-10(5-3-1)8-14-11-6-12-9-13-7-11/h1-7,9H,8H2
InChIKeyRXQIMSBNQMJDDQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.06
Rot. Bonds3

About 5-phenylmethoxypyrimidine

5-phenylmethoxypyrimidine (PubChem CID 19745647) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-phenylmethoxypyrimidine.

Molecular Properties

Compound Name5-phenylmethoxypyrimidine
PubChem CID19745647
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name5-phenylmethoxypyrimidine
SMILESc1ccc(COc2cncnc2)cc1
InChIInChI=1S/C11H10N2O/c1-2-4-10(5-3-1)8-14-11-6-12-9-13-7-11/h1-7,9H,8H2
InChIKeyRXQIMSBNQMJDDQ-UHFFFAOYSA-N
XLogP2.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.06
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
4-N-butyl-5-(3-phenylpropoxy)pyrimidine-2,4-diamine
CID 70856103
5-Benzyloxypyrimidine-2,4-diamine
CID 516670
5-[(2,6-Dichlorophenyl)methoxy]pyrimidine-2,4-diamine
CID 516673
5-[(4-Prop-2-enoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 14570145
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

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxypyrimidine?
The IUPAC name of 5-phenylmethoxypyrimidine (CID 19745647) is 5-phenylmethoxypyrimidine.
What is the SMILES notation for 5-phenylmethoxypyrimidine?
The canonical SMILES for 5-phenylmethoxypyrimidine is c1ccc(COc2cncnc2)cc1.
What is the InChIKey of 5-phenylmethoxypyrimidine?
The InChIKey is RXQIMSBNQMJDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-4-10(5-3-1)8-14-11-6-12-9-13-7-11/h1-7,9H,8H2.
What are the key properties of 5-phenylmethoxypyrimidine?
5-phenylmethoxypyrimidine has a molecular weight of 186.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxypyrimidine is sourced from PubChem (CID 19745647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).