6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine

C17H21N3 — CID 114607065

IUPAC6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccccc2C2CCC2)nc(C)n1
InChIInChI=1S/C17H21N3/c1-3-18-17-11-16(19-12(2)20-17)15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-11,13H,3,6-8H2,1-2H3,(H,18,19,20)
InChIKeyBXGVQNPTXJLQJA-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.15
Rot. Bonds4

About 6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine

6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine (PubChem CID 114607065) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine
PubChem CID114607065
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccccc2C2CCC2)nc(C)n1
InChIInChI=1S/C17H21N3/c1-3-18-17-11-16(19-12(2)20-17)15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-11,13H,3,6-8H2,1-2H3,(H,18,19,20)
InChIKeyBXGVQNPTXJLQJA-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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Related Compounds

4-chloro-6-(2-cyclobutylphenyl)-2-propylpyrimidine
CID 114606761
3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine
CID 114607057
2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 80949016
N,2-diethyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80935861
6-(2-cyclobutylphenyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 114607055
6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107421241
6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 115504032
N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 4253034
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine
CID 114747205
2-chloro-6-(2-cyclobutylphenyl)pyridine
CID 114606707
N-ethyl-2-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
CID 80873426
N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80873271

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine (CID 114607065) is 6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine is CCNc1cc(-c2ccccc2C2CCC2)nc(C)n1.
What is the InChIKey of 6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is BXGVQNPTXJLQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-18-17-11-16(19-12(2)20-17)15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-11,13H,3,6-8H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine?
6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-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 6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 114607065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).