5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine

C11H11ClN4O — CID 516671

IUPAC5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine
SMILESNc1ncc(OCc2ccccc2Cl)c(N)n1
InChIInChI=1S/C11H11ClN4O/c12-8-4-2-1-3-7(8)6-17-9-5-15-11(14)16-10(9)13/h1-5H,6H2,(H4,13,14,15,16)
InChIKeyPRRBRFOWNHPLBG-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.87
Rot. Bonds3

About 5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine

5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine (PubChem CID 516671) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine
PubChem CID516671
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine
SMILESNc1ncc(OCc2ccccc2Cl)c(N)n1
InChIInChI=1S/C11H11ClN4O/c12-8-4-2-1-3-7(8)6-17-9-5-15-11(14)16-10(9)13/h1-5H,6H2,(H4,13,14,15,16)
InChIKeyPRRBRFOWNHPLBG-UHFFFAOYSA-N
XLogP1.87
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine (CID 516671) is 5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine is Nc1ncc(OCc2ccccc2Cl)c(N)n1.
What is the InChIKey of 5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine?
The InChIKey is PRRBRFOWNHPLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-8-4-2-1-3-7(8)6-17-9-5-15-11(14)16-10(9)13/h1-5H,6H2,(H4,13,14,15,16).
What are the key properties of 5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine?
5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine has a molecular weight of 250.69 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 516671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).