2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine

C13H22ClN3 — CID 80953542

IUPAC2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine
SMILESCCCN(CC)c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22ClN3/c1-6-8-17(7-2)11-9-10(14)15-12(16-11)13(3,4)5/h9H,6-8H2,1-5H3
InChIKeyRETGEBGCXLIMJI-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.66
Rot. Bonds4

About 2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine

2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine (PubChem CID 80953542) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine
PubChem CID80953542
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine
SMILESCCCN(CC)c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22ClN3/c1-6-8-17(7-2)11-9-10(14)15-12(16-11)13(3,4)5/h9H,6-8H2,1-5H3
InChIKeyRETGEBGCXLIMJI-UHFFFAOYSA-N
XLogP3.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine (CID 80953542) is 2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine is CCCN(CC)c1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is RETGEBGCXLIMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-6-8-17(7-2)11-9-10(14)15-12(16-11)13(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine?
2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 255.79 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80953542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).