4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine

C11H20N4 — CID 80769091

IUPAC4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC(C)(C)C)n1
InChIInChI=1S/C11H20N4/c1-6-12-10-13-7-8(2)9(14-10)15-11(3,4)5/h7H,6H2,1-5H3,(H2,12,13,14,15)
InChIKeyGFMYZERSNOUFES-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.43
Rot. Bonds3

About 4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine

4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine (PubChem CID 80769091) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
PubChem CID80769091
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC(C)(C)C)n1
InChIInChI=1S/C11H20N4/c1-6-12-10-13-7-8(2)9(14-10)15-11(3,4)5/h7H,6H2,1-5H3,(H2,12,13,14,15)
InChIKeyGFMYZERSNOUFES-UHFFFAOYSA-N
XLogP2.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide
CID 115357443
4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 106014954
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179400
2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80802888
1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80842921
4-N-(2-tert-butylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80822747
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-5-fluoropyrimidine-2,4-diamine
CID 80840287
2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 114102554
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760884
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
CID 113498180
2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759795
4-N-(2,5-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80763434

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine (CID 80769091) is 4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine is CCNc1ncc(C)c(NC(C)(C)C)n1.
What is the InChIKey of 4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The InChIKey is GFMYZERSNOUFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-6-12-10-13-7-8(2)9(14-10)15-11(3,4)5/h7H,6H2,1-5H3,(H2,12,13,14,15).
What are the key properties of 4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80769091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).