4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine

C18H23N3 — CID 116506929

IUPAC4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C18H23N3/c1-3-11-19-18-20-13(2)12-17(21-18)16-9-7-15(8-10-16)14-5-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,19,20,21)
InChIKeyCEKSOJKPHDBMKL-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.54
Rot. Bonds5

About 4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine

4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine (PubChem CID 116506929) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine
PubChem CID116506929
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C18H23N3/c1-3-11-19-18-20-13(2)12-17(21-18)16-9-7-15(8-10-16)14-5-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,19,20,21)
InChIKeyCEKSOJKPHDBMKL-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine (CID 116506929) is 4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(-c2ccc(C3CCC3)cc2)n1.
What is the InChIKey of 4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine?
The InChIKey is CEKSOJKPHDBMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-11-19-18-20-13(2)12-17(21-18)16-9-7-15(8-10-16)14-5-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,19,20,21).
What are the key properties of 4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine?
4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine has a molecular weight of 281.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 116506929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).