5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine

C16H21N3O — CID 80880474

IUPAC5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
SMILESCCCc1ccc(Oc2ncnc(N)c2CCC)cc1
InChIInChI=1S/C16H21N3O/c1-3-5-12-7-9-13(10-8-12)20-16-14(6-4-2)15(17)18-11-19-16/h7-11H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyQMKOYQZFVOBTDC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.76
Rot. Bonds6

About 5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine

5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine (PubChem CID 80880474) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
PubChem CID80880474
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
SMILESCCCc1ccc(Oc2ncnc(N)c2CCC)cc1
InChIInChI=1S/C16H21N3O/c1-3-5-12-7-9-13(10-8-12)20-16-14(6-4-2)15(17)18-11-19-16/h7-11H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyQMKOYQZFVOBTDC-UHFFFAOYSA-N
XLogP3.76
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The IUPAC name of 5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine (CID 80880474) is 5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine is CCCc1ccc(Oc2ncnc(N)c2CCC)cc1.
What is the InChIKey of 5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The InChIKey is QMKOYQZFVOBTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-5-12-7-9-13(10-8-12)20-16-14(6-4-2)15(17)18-11-19-16/h7-11H,3-6H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine?
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80880474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).