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

C18H18N4O2 — CID 516675

IUPAC5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine
SMILESNc1ncc(OCc2ccc(OCc3ccccc3)cc2)c(N)n1
InChIInChI=1S/C18H18N4O2/c19-17-16(10-21-18(20)22-17)24-12-14-6-8-15(9-7-14)23-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H4,19,20,21,22)
InChIKeyZASVHVWYIHBJJR-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.80
Rot. Bonds6

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

5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine (PubChem CID 516675) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine
PubChem CID516675
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine
SMILESNc1ncc(OCc2ccc(OCc3ccccc3)cc2)c(N)n1
InChIInChI=1S/C18H18N4O2/c19-17-16(10-21-18(20)22-17)24-12-14-6-8-15(9-7-14)23-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H4,19,20,21,22)
InChIKeyZASVHVWYIHBJJR-UHFFFAOYSA-N
XLogP2.80
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine (CID 516675) is 5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine is Nc1ncc(OCc2ccc(OCc3ccccc3)cc2)c(N)n1.
What is the InChIKey of 5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine?
The InChIKey is ZASVHVWYIHBJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-17-16(10-21-18(20)22-17)24-12-14-6-8-15(9-7-14)23-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H4,19,20,21,22).
What are the key properties of 5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine?
5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine has a molecular weight of 322.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylmethoxyphenyl)methoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 516675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).