3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine

C14H25N3 — CID 116893078

IUPAC3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine
SMILESCc1cc(C(C)(C)C)nc(C(C)(C)CCN)n1
InChIInChI=1S/C14H25N3/c1-10-9-11(13(2,3)4)17-12(16-10)14(5,6)7-8-15/h9H,7-8,15H2,1-6H3
InChIKeyJZOSLDIIDIYVGP-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.71
Rot. Bonds3

About 3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine

3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine (PubChem CID 116893078) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine
PubChem CID116893078
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine
SMILESCc1cc(C(C)(C)C)nc(C(C)(C)CCN)n1
InChIInChI=1S/C14H25N3/c1-10-9-11(13(2,3)4)17-12(16-10)14(5,6)7-8-15/h9H,7-8,15H2,1-6H3
InChIKeyJZOSLDIIDIYVGP-UHFFFAOYSA-N
XLogP2.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-ditert-butyl-6-methylpyrimidine
CID 22950955
3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116893092
3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116893087
3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine
CID 63318758
4-tert-butyl-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893734
2-amino-2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethanol
CID 116895780
4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine
CID 138487090
1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine
CID 63318911
[6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine
CID 116777561
2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine
CID 116892809
4-tert-butyl-6-methylpyrimidine-2-carbaldehyde
CID 116894351
2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine
CID 116893271

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine (CID 116893078) is 3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine is Cc1cc(C(C)(C)C)nc(C(C)(C)CCN)n1.
What is the InChIKey of 3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine?
The InChIKey is JZOSLDIIDIYVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10-9-11(13(2,3)4)17-12(16-10)14(5,6)7-8-15/h9H,7-8,15H2,1-6H3.
What are the key properties of 3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine?
3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 116893078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).