2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine

C15H28N4O — CID 80967735

IUPAC2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCCCOCC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-16-12-11-13(17-9-8-10-20-7-2)19-14(18-12)15(3,4)5/h11H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyKJBLOWADUVXJQT-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.04
Rot. Bonds8

About 2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80967735) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80967735
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCCCOCC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-16-12-11-13(17-9-8-10-20-7-2)19-14(18-12)15(3,4)5/h11H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyKJBLOWADUVXJQT-UHFFFAOYSA-N
XLogP3.04
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
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-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80966986
4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933354
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 82456921
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80958459
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334
2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol
CID 106311467
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
4-N-(3-butoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773058
3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine
CID 65271490

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine (CID 80967735) is 2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(NCCCOCC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is KJBLOWADUVXJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-16-12-11-13(17-9-8-10-20-7-2)19-14(18-12)15(3,4)5/h11H,6-10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 280.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).