4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine

C17H21N3 — CID 114606872

IUPAC4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(-c2cccc(C3CCC3)c2)n1
InChIInChI=1S/C17H21N3/c1-3-18-17-19-12(2)10-16(20-17)15-9-5-8-14(11-15)13-6-4-7-13/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,18,19,20)
InChIKeyLFCGYTKJFMWFTF-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.15
Rot. Bonds4

About 4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine

4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 114606872) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID114606872
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(-c2cccc(C3CCC3)c2)n1
InChIInChI=1S/C17H21N3/c1-3-18-17-19-12(2)10-16(20-17)15-9-5-8-14(11-15)13-6-4-7-13/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,18,19,20)
InChIKeyLFCGYTKJFMWFTF-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-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine
CID 116506929
6-(3-cyclobutylphenyl)-N-ethyl-4,5-dimethylpyridazin-3-amine
CID 114607011
6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 114607000
6-(3-cyclobutylphenyl)-N-propylpyrazin-2-amine
CID 114606962
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867
4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine
CID 114606618
5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 79980369
4-cyclobutyloxy-N-ethyl-6-methylpyrimidin-2-amine
CID 80873770
N-ethyl-4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-amine
CID 113297377
N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine
CID 107290514
6-(3-cyclobutylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 114607003
4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770354

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine (CID 114606872) is 4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(-c2cccc(C3CCC3)c2)n1.
What is the InChIKey of 4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is LFCGYTKJFMWFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-18-17-19-12(2)10-16(20-17)15-9-5-8-14(11-15)13-6-4-7-13/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,18,19,20).
What are the key properties of 4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine?
4-(3-cyclobutylphenyl)-N-ethyl-6-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-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 114606872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).