[2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine

C15H19N3 — CID 82293093

IUPAC[2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2ncc(CN)cn2)cc1
InChIInChI=1S/C15H19N3/c1-15(2,3)13-6-4-12(5-7-13)14-17-9-11(8-16)10-18-14/h4-7,9-10H,8,16H2,1-3H3
InChIKeyYEYFNIJFCOZUQK-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.90
Rot. Bonds2

About [2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine

[2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine (PubChem CID 82293093) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine
PubChem CID82293093
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name[2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2ncc(CN)cn2)cc1
InChIInChI=1S/C15H19N3/c1-15(2,3)13-6-4-12(5-7-13)14-17-9-11(8-16)10-18-14/h4-7,9-10H,8,16H2,1-3H3
InChIKeyYEYFNIJFCOZUQK-UHFFFAOYSA-N
XLogP2.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-[4-(4-tert-butylphenyl)phenyl]pyrimidine;ethane
CID 160558757
2-(4-tert-butylphenyl)-5-chloropyrimidine
CID 90450772
5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine
CID 101484197
[2-(3-bromo-4-methylphenyl)pyrimidin-5-yl]methanamine
CID 107915560
[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82081833
[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine
CID 82802967
2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-decylpyrimidine
CID 140591528
[4-[5-(4-tert-butylphenyl)pyrimidin-2-yl]phenyl] propanoate
CID 158928935
[4-(4-tert-butylphenyl)-3-pyridinyl]methanamine
CID 82387749
[3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine
CID 39233059
[2-(5-methylthiophen-2-yl)pyrimidin-5-yl]methanamine
CID 131067816
[5-(4-tert-butylphenyl)-2-pyridinyl]methanol
CID 139170729

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine (CID 82293093) is [2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine is CC(C)(C)c1ccc(-c2ncc(CN)cn2)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine?
The InChIKey is YEYFNIJFCOZUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(2,3)13-6-4-12(5-7-13)14-17-9-11(8-16)10-18-14/h4-7,9-10H,8,16H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine?
[2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine has a molecular weight of 241.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 82293093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).