5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine

C17H23N3O — CID 80989825

IUPAC5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
SMILESCCCc1ccc(Oc2nc(CCC)nc(N)c2C)cc1
InChIInChI=1S/C17H23N3O/c1-4-6-13-8-10-14(11-9-13)21-17-12(3)16(18)19-15(20-17)7-5-2/h8-11H,4-7H2,1-3H3,(H2,18,19,20)
InChIKeyIXJWNIJKJMMJBN-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.06
Rot. Bonds6

About 5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine

5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine (PubChem CID 80989825) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
PubChem CID80989825
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
SMILESCCCc1ccc(Oc2nc(CCC)nc(N)c2C)cc1
InChIInChI=1S/C17H23N3O/c1-4-6-13-8-10-14(11-9-13)21-17-12(3)16(18)19-15(20-17)7-5-2/h8-11H,4-7H2,1-3H3,(H2,18,19,20)
InChIKeyIXJWNIJKJMMJBN-UHFFFAOYSA-N
XLogP4.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine (CID 80989825) is 5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine is CCCc1ccc(Oc2nc(CCC)nc(N)c2C)cc1.
What is the InChIKey of 5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The InChIKey is IXJWNIJKJMMJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-6-13-8-10-14(11-9-13)21-17-12(3)16(18)19-15(20-17)7-5-2/h8-11H,4-7H2,1-3H3,(H2,18,19,20).
What are the key properties of 5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine?
5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80989825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).