4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine

C17H21N3 — CID 116506911

IUPAC4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C17H21N3/c1-3-18-17-19-11-12(2)16(20-17)15-9-7-14(8-10-15)13-5-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyHJCSDFDVDDFCSD-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.15
Rot. Bonds4

About 4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine

4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine (PubChem CID 116506911) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine
PubChem CID116506911
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(-c2ccc(C3CCC3)cc2)n1
InChIInChI=1S/C17H21N3/c1-3-18-17-19-11-12(2)16(20-17)15-9-7-14(8-10-15)13-5-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyHJCSDFDVDDFCSD-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine (CID 116506911) is 4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine is CCNc1ncc(C)c(-c2ccc(C3CCC3)cc2)n1.
What is the InChIKey of 4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine?
The InChIKey is HJCSDFDVDDFCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-18-17-19-11-12(2)16(20-17)15-9-7-14(8-10-15)13-5-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of 4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine?
4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine has a molecular weight of 267.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 116506911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).