2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine

C17H23N3 — CID 62599855

IUPAC2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
SMILESCNC(Cc1ccc(C(C)(C)C)cc1)c1ncccn1
InChIInChI=1S/C17H23N3/c1-17(2,3)14-8-6-13(7-9-14)12-15(18-4)16-19-10-5-11-20-16/h5-11,15,18H,12H2,1-4H3
InChIKeyYTJPWJYOXDNUBK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.28
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine

2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine (PubChem CID 62599855) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
PubChem CID62599855
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
SMILESCNC(Cc1ccc(C(C)(C)C)cc1)c1ncccn1
InChIInChI=1S/C17H23N3/c1-17(2,3)14-8-6-13(7-9-14)12-15(18-4)16-19-10-5-11-20-16/h5-11,15,18H,12H2,1-4H3
InChIKeyYTJPWJYOXDNUBK-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-phenyl-1-pyrimidin-2-ylethanamine
CID 60820448
[2-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)ethyl]hydrazine
CID 103445951
1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine
CID 63412783
2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105136164
[2-(4-tert-butylphenyl)-1-pyrazin-2-ylethyl]hydrazine
CID 105203386
3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516515
[2-(4-tert-butylphenyl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258143
N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine
CID 64770856
N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine
CID 60817853
N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 62548191
5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine
CID 64719182
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine (CID 62599855) is 2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine is CNC(Cc1ccc(C(C)(C)C)cc1)c1ncccn1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine?
The InChIKey is YTJPWJYOXDNUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2,3)14-8-6-13(7-9-14)12-15(18-4)16-19-10-5-11-20-16/h5-11,15,18H,12H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine?
2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 62599855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).