6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine

C15H27N3O — CID 116775612

IUPAC6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine
SMILESCCOC(CC)(CC)c1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C15H27N3O/c1-7-15(8-2,19-9-3)13-17-11(14(4,5)6)10-12(16)18-13/h10H,7-9H2,1-6H3,(H2,16,17,18)
InChIKeyKRGVHXLJVMKPSI-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.41
Rot. Bonds5

About 6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine

6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine (PubChem CID 116775612) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine
PubChem CID116775612
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine
SMILESCCOC(CC)(CC)c1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C15H27N3O/c1-7-15(8-2,19-9-3)13-17-11(14(4,5)6)10-12(16)18-13/h10H,7-9H2,1-6H3,(H2,16,17,18)
InChIKeyKRGVHXLJVMKPSI-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine
CID 116777561
4,6-ditert-butylpyridin-2-amine
CID 166788497
6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
CID 62693647
6-tert-butyl-2-chloropyrimidin-4-amine
CID 58008872
6-tert-butyl-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-4-amine
CID 64770726
6-tert-butyl-2-(2,2-dimethylpropyl)pyrimidin-4-amine
CID 63891743
5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 116740903
4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine
CID 116745694
1-(4-amino-6-tert-butylpyrimidin-2-yl)propan-1-one
CID 147303015
6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 65127560
4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine
CID 116745855
6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116502971

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine (CID 116775612) is 6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine is CCOC(CC)(CC)c1nc(N)cc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine?
The InChIKey is KRGVHXLJVMKPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-7-15(8-2,19-9-3)13-17-11(14(4,5)6)10-12(16)18-13/h10H,7-9H2,1-6H3,(H2,16,17,18).
What are the key properties of 6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine?
6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 116775612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).