2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine

C13H24N4O — CID 80966986

IUPAC2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCCNc1cc(NC)nc(C(C)(C)C)n1
InChIInChI=1S/C13H24N4O/c1-6-18-8-7-15-11-9-10(14-5)16-12(17-11)13(2,3)4/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyHXCZGZHGLUJMJD-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.26
Rot. Bonds6

About 2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80966986) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80966986
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCCNc1cc(NC)nc(C(C)(C)C)n1
InChIInChI=1S/C13H24N4O/c1-6-18-8-7-15-11-9-10(14-5)16-12(17-11)13(2,3)4/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyHXCZGZHGLUJMJD-UHFFFAOYSA-N
XLogP2.26
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.26
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-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80967735
2-tert-butyl-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80957345
4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933354
2-(ethoxymethyl)-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401288
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine
CID 113480692
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80957506
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042309
2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine
CID 80966607
2-tert-butyl-6-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80957241

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine (CID 80966986) is 2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine is CCOCCNc1cc(NC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is HXCZGZHGLUJMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-18-8-7-15-11-9-10(14-5)16-12(17-11)13(2,3)4/h9H,6-8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.26, 6 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-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80966986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).