N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine

C11H19N3 — CID 62755323

IUPACN-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine
SMILESCCNCc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C11H19N3/c1-5-12-6-9-7-13-10(14-8-9)11(2,3)4/h7-8,12H,5-6H2,1-4H3
InChIKeyYIBYPOBJHLIQAI-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.88
Rot. Bonds3

About N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine

N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 62755323) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine
PubChem CID62755323
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine
SMILESCCNCc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C11H19N3/c1-5-12-6-9-7-13-10(14-8-9)11(2,3)4/h7-8,12H,5-6H2,1-4H3
InChIKeyYIBYPOBJHLIQAI-UHFFFAOYSA-N
XLogP1.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
CID 63891334
4-[(2-tert-butylpyrimidin-5-yl)methylamino]-2,2-dimethylbutanoic acid
CID 122127481
2-[(2-tert-butylpyrimidin-5-yl)methylamino]-2-methylpropanamide
CID 114276605
(2-tert-butylpyrimidin-5-yl)methanethiol
CID 155186184
tert-butyl N-[3-[(2-tert-butylpyrimidin-5-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 114276626
methyl (2S)-2-[(2-tert-butylpyrimidin-5-yl)methylamino]propanoate
CID 114276603
3-(2-tert-butylpyrimidin-5-yl)propan-1-ol
CID 59233535
N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55114017
N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80627993
N-[(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 63771712
N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755684

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine (CID 62755323) is N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine is CCNCc1cnc(C(C)(C)C)nc1.
What is the InChIKey of N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is YIBYPOBJHLIQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-12-6-9-7-13-10(14-8-9)11(2,3)4/h7-8,12H,5-6H2,1-4H3.
What are the key properties of N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine?
N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 62755323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).