N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine

C12H21N3O — CID 82453563

IUPACN-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCC(C)COc1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C12H21N3O/c1-9(2)7-16-11-6-10(13-8-14-11)15-12(3,4)5/h6,8-9H,7H2,1-5H3,(H,13,14,15)
InChIKeyGQONCTCUAGUIRV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.72
Rot. Bonds4

About N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine

N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine (PubChem CID 82453563) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine
PubChem CID82453563
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCC(C)COc1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C12H21N3O/c1-9(2)7-16-11-6-10(13-8-14-11)15-12(3,4)5/h6,8-9H,7H2,1-5H3,(H,13,14,15)
InChIKeyGQONCTCUAGUIRV-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
CID 80860454
6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453564
N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 126848581
N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456699
4-fluoro-6-(2-methylpropoxy)pyrimidine
CID 115416023
[6-(2-methylpropoxy)pyrimidin-4-yl]methanamine
CID 83619704
6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 66325707
N-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80920027
N-tert-butyl-6-fluoropyrimidin-4-amine
CID 115416300
6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340453
N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine
CID 126849068
1-[6-(2-methylpropoxy)pyrimidin-4-yl]ethanone
CID 83878792

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine (CID 82453563) is N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine is CC(C)COc1cc(NC(C)(C)C)ncn1.
What is the InChIKey of N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The InChIKey is GQONCTCUAGUIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)7-16-11-6-10(13-8-14-11)15-12(3,4)5/h6,8-9H,7H2,1-5H3,(H,13,14,15).
What are the key properties of N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine?
N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 82453563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).