2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine

C16H29N3O2 — CID 82456902

IUPAC2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCOCCCNc1cc(OCC(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-12(2)11-21-14-10-13(17-8-7-9-20-6)18-15(19-14)16(3,4)5/h10,12H,7-9,11H2,1-6H3,(H,17,18,19)
InChIKeyHXMAHNMHDKTCES-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.26
Rot. Bonds8

About 2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine

2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine (PubChem CID 82456902) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine
PubChem CID82456902
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCOCCCNc1cc(OCC(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-12(2)11-21-14-10-13(17-8-7-9-20-6)18-15(19-14)16(3,4)5/h10,12H,7-9,11H2,1-6H3,(H,17,18,19)
InChIKeyHXMAHNMHDKTCES-UHFFFAOYSA-N
XLogP3.26
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.26
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

6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 82456921
2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458804
3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80966433
N-(2-tert-butyl-6-ethoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456837
N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 82456706
2-cyclohexyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458412
2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine
CID 82456804
2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80967735
6-(2-aminoethoxy)-N-(3-methoxypropyl)-2-methylpyrimidin-4-amine
CID 121206105
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82456857

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine (CID 82456902) is 2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine is COCCCNc1cc(OCC(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine?
The InChIKey is HXMAHNMHDKTCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)11-21-14-10-13(17-8-7-9-20-6)18-15(19-14)16(3,4)5/h10,12H,7-9,11H2,1-6H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine?
2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine has a molecular weight of 295.43 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 82456902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).