N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine

C17H23N3 — CID 116898515

IUPACN-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine
SMILESCCNCc1nccc(-c2c(C)c(C)cc(C)c2C)n1
InChIInChI=1S/C17H23N3/c1-6-18-10-16-19-8-7-15(20-16)17-13(4)11(2)9-12(3)14(17)5/h7-9,18H,6,10H2,1-5H3
InChIKeyXRDWGLKGSUJTAQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.49
Rot. Bonds4

About N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine

N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine (PubChem CID 116898515) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine
PubChem CID116898515
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine
SMILESCCNCc1nccc(-c2c(C)c(C)cc(C)c2C)n1
InChIInChI=1S/C17H23N3/c1-6-18-10-16-19-8-7-15(20-16)17-13(4)11(2)9-12(3)14(17)5/h7-9,18H,6,10H2,1-5H3
InChIKeyXRDWGLKGSUJTAQ-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methanamine
CID 82477561
N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine
CID 116898542
2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid
CID 82488194
N-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]ethanamine
CID 116898543
N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine
CID 116898504
N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine
CID 63318725
2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine
CID 116898708
N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine
CID 81431793
N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898658
1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 116897472
N-[(5-methylpyrimidin-2-yl)methyl]ethanamine
CID 63321145
N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine
CID 116897504

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine (CID 116898515) is N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine is CCNCc1nccc(-c2c(C)c(C)cc(C)c2C)n1.
What is the InChIKey of N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine?
The InChIKey is XRDWGLKGSUJTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-6-18-10-16-19-8-7-15(20-16)17-13(4)11(2)9-12(3)14(17)5/h7-9,18H,6,10H2,1-5H3.
What are the key properties of N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine?
N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 116898515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).