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

C16H29N3O2 — CID 82456921

IUPAC6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCCCOC)nc(C(C)(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-6-7-11-21-14-12-13(17-9-8-10-20-5)18-15(19-14)16(2,3)4/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyCKBXPKWETCXMRE-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.40
Rot. Bonds9

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

6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine (PubChem CID 82456921) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine
PubChem CID82456921
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NCCCOC)nc(C(C)(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-6-7-11-21-14-12-13(17-9-8-10-20-5)18-15(19-14)16(2,3)4/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyCKBXPKWETCXMRE-UHFFFAOYSA-N
XLogP3.40
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.40
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-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456902
6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
CID 82454415
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
2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine
CID 106207657
2-ethyl-6-(3-methoxypropoxy)-N-propylpyrimidin-4-amine
CID 80941336
2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80967735
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
6-(2-aminoethoxy)-N-(3-methoxypropyl)-2-methylpyrimidin-4-amine
CID 121206105
N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
CID 82456662
6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456917
2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82456857

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine?
The IUPAC name of 6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine (CID 82456921) is 6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine is CCCCOc1cc(NCCCOC)nc(C(C)(C)C)n1.
What is the InChIKey of 6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine?
The InChIKey is CKBXPKWETCXMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-7-11-21-14-12-13(17-9-8-10-20-5)18-15(19-14)16(2,3)4/h12H,6-11H2,1-5H3,(H,17,18,19).
What are the key properties of 6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine?
6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine has a molecular weight of 295.43 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 82456921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).