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

C15H20N4O — CID 516678

IUPAC5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine
SMILESCC(C)(C)c1ccc(COc2cnc(N)nc2N)cc1
InChIInChI=1S/C15H20N4O/c1-15(2,3)11-6-4-10(5-7-11)9-20-12-8-18-14(17)19-13(12)16/h4-8H,9H2,1-3H3,(H4,16,17,18,19)
InChIKeyDCOTUKJUYREKGG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.52
Rot. Bonds3

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

5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine (PubChem CID 516678) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine
PubChem CID516678
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine
SMILESCC(C)(C)c1ccc(COc2cnc(N)nc2N)cc1
InChIInChI=1S/C15H20N4O/c1-15(2,3)11-6-4-10(5-7-11)9-20-12-8-18-14(17)19-13(12)16/h4-8H,9H2,1-3H3,(H4,16,17,18,19)
InChIKeyDCOTUKJUYREKGG-UHFFFAOYSA-N
XLogP2.52
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine (CID 516678) is 5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine is CC(C)(C)c1ccc(COc2cnc(N)nc2N)cc1.
What is the InChIKey of 5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine?
The InChIKey is DCOTUKJUYREKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)11-6-4-10(5-7-11)9-20-12-8-18-14(17)19-13(12)16/h4-8H,9H2,1-3H3,(H4,16,17,18,19).
What are the key properties of 5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine?
5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)methoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 516678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).