2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine

C14H25N3O2 — CID 106451224

IUPAC2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
SMILESCC(C)COCCOc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-10(2)9-18-6-7-19-12-8-11(15)16-13(17-12)14(3,4)5/h8,10H,6-7,9H2,1-5H3,(H2,15,16,17)
InChIKeyWBYRQJFLQATVFU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.41
Rot. Bonds6

About 2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine

2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine (PubChem CID 106451224) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
PubChem CID106451224
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
SMILESCC(C)COCCOc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-10(2)9-18-6-7-19-12-8-11(15)16-13(17-12)14(3,4)5/h8,10H,6-7,9H2,1-5H3,(H2,15,16,17)
InChIKeyWBYRQJFLQATVFU-UHFFFAOYSA-N
XLogP2.41
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80968844
2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine
CID 80962786
2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80962886
2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine
CID 80966379
N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106451304
[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol
CID 106448453
[2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine
CID 106446681
4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine
CID 106447502
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine
CID 112590841
2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
CID 112590912
2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456902
6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774322

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine (CID 106451224) is 2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine is CC(C)COCCOc1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine?
The InChIKey is WBYRQJFLQATVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)9-18-6-7-19-12-8-11(15)16-13(17-12)14(3,4)5/h8,10H,6-7,9H2,1-5H3,(H2,15,16,17).
What are the key properties of 2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine?
2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine has a molecular weight of 267.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 106451224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).