N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine

C17H23N3 — CID 62548191

IUPACN-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)c1ncccn1
InChIInChI=1S/C17H23N3/c1-5-18-15(16-19-11-6-12-20-16)13-7-9-14(10-8-13)17(2,3)4/h6-12,15,18H,5H2,1-4H3
InChIKeyPOQINEJMVJEMFA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.47
Rot. Bonds4

About N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine

N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine (PubChem CID 62548191) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine
PubChem CID62548191
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)c1ncccn1
InChIInChI=1S/C17H23N3/c1-5-18-15(16-19-11-6-12-20-16)13-7-9-14(10-8-13)17(2,3)4/h6-12,15,18H,5H2,1-4H3
InChIKeyPOQINEJMVJEMFA-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 62548712
[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203825
N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
CID 43489132
N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789684
N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 107128679
N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine
CID 43491265
N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
CID 105140466
N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 62795433
N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61329994
N-[(4-tert-butylphenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 43493260
1-(4-tert-butylphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105140419
N-[(4-ethylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 55084696

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine (CID 62548191) is N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine is CCNC(c1ccc(C(C)(C)C)cc1)c1ncccn1.
What is the InChIKey of N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The InChIKey is POQINEJMVJEMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-18-15(16-19-11-6-12-20-16)13-7-9-14(10-8-13)17(2,3)4/h6-12,15,18H,5H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine?
N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine is sourced from PubChem (CID 62548191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).