6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine

C16H20ClN3 — CID 63485047

IUPAC6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H20ClN3/c1-5-18-14-10-13(16(2,3)4)19-15(20-14)11-7-6-8-12(17)9-11/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyNJHZJYYRRKRBMT-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.53
Rot. Bonds3

About 6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine

6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine (PubChem CID 63485047) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
PubChem CID63485047
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H20ClN3/c1-5-18-14-10-13(16(2,3)4)19-15(20-14)11-7-6-8-12(17)9-11/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyNJHZJYYRRKRBMT-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine (CID 63485047) is 6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine is CCNc1cc(C(C)(C)C)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is NJHZJYYRRKRBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-5-18-14-10-13(16(2,3)4)19-15(20-14)11-7-6-8-12(17)9-11/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine?
6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 63485047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).