6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine

C17H21N3 — CID 114607000

IUPAC6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cccc(C3CCC3)c2)c1C
InChIInChI=1S/C17H21N3/c1-3-18-17-12(2)16(19-11-20-17)15-9-5-8-14(10-15)13-6-4-7-13/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,18,19,20)
InChIKeyNLDHGTVYYRHUSD-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.15
Rot. Bonds4

About 6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine

6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 114607000) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID114607000
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cccc(C3CCC3)c2)c1C
InChIInChI=1S/C17H21N3/c1-3-18-17-12(2)16(19-11-20-17)15-9-5-8-14(10-15)13-6-4-7-13/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,18,19,20)
InChIKeyNLDHGTVYYRHUSD-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

6-(3-cyclobutylphenyl)-N-ethyl-4,5-dimethylpyridazin-3-amine
CID 114607011
6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 114523373
6-(3-cyclobutylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 114607003
4-(3-cyclobutylphenyl)-N-ethyl-6-methylpyrimidin-2-amine
CID 114606872
5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 79980369
1,3-bis(3-cyclopentylphenyl)-2-methylbenzene
CID 162497484
6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 115504003
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 115503017
3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione
CID 106522498
4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136770360
6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80889416
3-(2-cyclobutylphenyl)-N-ethylpyrazin-2-amine
CID 114607057

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine (CID 114607000) is 6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(-c2cccc(C3CCC3)c2)c1C.
What is the InChIKey of 6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is NLDHGTVYYRHUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-18-17-12(2)16(19-11-20-17)15-9-5-8-14(10-15)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 6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine?
6-(3-cyclobutylphenyl)-N-ethyl-5-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-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 114607000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).