4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine

C13H24N4O — CID 82456041

IUPAC4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(NC(C)(C)C)c(N)c(OCC)n1
InChIInChI=1S/C13H24N4O/c1-6-8-9-15-11(17-13(3,4)5)10(14)12(16-9)18-7-2/h6-8,14H2,1-5H3,(H,15,16,17)
InChIKeyZOBDVIYIVFQQPW-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.62
Rot. Bonds5

About 4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine

4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine (PubChem CID 82456041) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine
PubChem CID82456041
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(NC(C)(C)C)c(N)c(OCC)n1
InChIInChI=1S/C13H24N4O/c1-6-8-9-15-11(17-13(3,4)5)10(14)12(16-9)18-7-2/h6-8,14H2,1-5H3,(H,15,16,17)
InChIKeyZOBDVIYIVFQQPW-UHFFFAOYSA-N
XLogP2.62
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine
CID 82456109
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456040
6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
CID 82456045
6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine
CID 82456062
6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 82456039
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456090
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
6-(2-methoxyethoxy)-4-N-propan-2-yl-2-propylpyrimidine-4,5-diamine
CID 82456150
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679
6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine
CID 82456312
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458581

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine (CID 82456041) is 4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine is CCCc1nc(NC(C)(C)C)c(N)c(OCC)n1.
What is the InChIKey of 4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine?
The InChIKey is ZOBDVIYIVFQQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-8-9-15-11(17-13(3,4)5)10(14)12(16-9)18-7-2/h6-8,14H2,1-5H3,(H,15,16,17).
What are the key properties of 4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine?
4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 82456041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).