4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine

C10H19N5 — CID 80768954

IUPAC4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC(C)(C)C)nc(N)n1
InChIInChI=1S/C10H19N5/c1-5-12-7-6-8(14-9(11)13-7)15-10(2,3)4/h6H,5H2,1-4H3,(H4,11,12,13,14,15)
InChIKeyUYBACHBTKCLJIG-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.70
Rot. Bonds3

About 4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine

4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80768954) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80768954
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC(C)(C)C)nc(N)n1
InChIInChI=1S/C10H19N5/c1-5-12-7-6-8(14-9(11)13-7)15-10(2,3)4/h6H,5H2,1-4H3,(H4,11,12,13,14,15)
InChIKeyUYBACHBTKCLJIG-UHFFFAOYSA-N
XLogP1.70
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine
CID 83146706
4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 113401247
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80770310
4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 23358672
4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80791193
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine
CID 80772345
6-N-ethyl-4-N-(2-methoxypropyl)pyrimidine-2,4,6-triamine
CID 102701909
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80823298

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine (CID 80768954) is 4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(NC(C)(C)C)nc(N)n1.
What is the InChIKey of 4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is UYBACHBTKCLJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-5-12-7-6-8(14-9(11)13-7)15-10(2,3)4/h6H,5H2,1-4H3,(H4,11,12,13,14,15).
What are the key properties of 4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 209.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80768954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).