2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine

C15H27N3O — CID 80988672

IUPAC2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1OCCCC(C)C
InChIInChI=1S/C15H27N3O/c1-10(2)8-7-9-19-13-11(3)12(16)17-14(18-13)15(4,5)6/h10H,7-9H2,1-6H3,(H2,16,17,18)
InChIKeyLQTCHWYIOJGALM-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.48
Rot. Bonds5

About 2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine

2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine (PubChem CID 80988672) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine
PubChem CID80988672
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1OCCCC(C)C
InChIInChI=1S/C15H27N3O/c1-10(2)8-7-9-19-13-11(3)12(16)17-14(18-13)15(4,5)6/h10H,7-9H2,1-6H3,(H2,16,17,18)
InChIKeyLQTCHWYIOJGALM-UHFFFAOYSA-N
XLogP3.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80989324
2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 103176459
2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80982626
2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80989402
2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine
CID 80984364
2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine
CID 80989840
2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine
CID 80988122
6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990527
CID 89255517
CID 89255517
2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine
CID 81341700
5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138122
2-tert-butyl-N-ethyl-6-(3-methoxypropoxy)-5-methylpyrimidin-4-amine
CID 80987964

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine (CID 80988672) is 2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine is Cc1c(N)nc(C(C)(C)C)nc1OCCCC(C)C.
What is the InChIKey of 2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine?
The InChIKey is LQTCHWYIOJGALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(2)8-7-9-19-13-11(3)12(16)17-14(18-13)15(4,5)6/h10H,7-9H2,1-6H3,(H2,16,17,18).
What are the key properties of 2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine?
2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine is sourced from PubChem (CID 80988672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).