2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine

C16H30N4O2 — CID 82458804

IUPAC2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCOCCCNc1nc(C(C)(C)C)nc(OCC(C)C)c1N
InChIInChI=1S/C16H30N4O2/c1-11(2)10-22-14-12(17)13(18-8-7-9-21-6)19-15(20-14)16(3,4)5/h11H,7-10,17H2,1-6H3,(H,18,19,20)
InChIKeyAJEUNVUXFRURKK-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.84
Rot. Bonds8

About 2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine

2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82458804) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82458804
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCOCCCNc1nc(C(C)(C)C)nc(OCC(C)C)c1N
InChIInChI=1S/C16H30N4O2/c1-11(2)10-22-14-12(17)13(18-8-7-9-21-6)19-15(20-14)16(3,4)5/h11H,7-10,17H2,1-6H3,(H,18,19,20)
InChIKeyAJEUNVUXFRURKK-UHFFFAOYSA-N
XLogP2.84
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82458783
4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458799
2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456902
4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455515
6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458232
4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455728
4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455513
4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458644
2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine
CID 81006868
2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine
CID 80983933
4-N-ethyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455505
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-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82458804) is 2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine is COCCCNc1nc(C(C)(C)C)nc(OCC(C)C)c1N.
What is the InChIKey of 2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is AJEUNVUXFRURKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-11(2)10-22-14-12(17)13(18-8-7-9-21-6)19-15(20-14)16(3,4)5/h11H,7-10,17H2,1-6H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 310.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).