2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C16H30N4O — CID 114944764

IUPAC2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCOC(C)(C)CNc1nc(C(C)(C)C)nc(NC)c1C
InChIInChI=1S/C16H30N4O/c1-9-21-16(6,7)10-18-13-11(2)12(17-8)19-14(20-13)15(3,4)5/h9-10H2,1-8H3,(H2,17,18,19,20)
InChIKeyDADQQPIARGSXLL-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.35
Rot. Bonds6

About 2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 114944764) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID114944764
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCOC(C)(C)CNc1nc(C(C)(C)C)nc(NC)c1C
InChIInChI=1S/C16H30N4O/c1-9-21-16(6,7)10-18-13-11(2)12(17-8)19-14(20-13)15(3,4)5/h9-10H2,1-8H3,(H2,17,18,19,20)
InChIKeyDADQQPIARGSXLL-UHFFFAOYSA-N
XLogP3.35
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 114944808
2-tert-butyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80980888
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114944633
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 114944722
2-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434
2-tert-butyl-4-N-[2-(diethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981478
2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
CID 82941053
2-tert-butyl-4-N-[2-(dimethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981185
2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80987650
2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80981514
4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 104767223
2-tert-butyl-6-N,5-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80983862

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 114944764) is 2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CCOC(C)(C)CNc1nc(C(C)(C)C)nc(NC)c1C.
What is the InChIKey of 2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is DADQQPIARGSXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-9-21-16(6,7)10-18-13-11(2)12(17-8)19-14(20-13)15(3,4)5/h9-10H2,1-8H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.35, 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-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 114944764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).