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

C16H19BrClN3 — CID 66307616

IUPAC5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(Cl)c2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C16H19BrClN3/c1-5-19-15-12(17)13(16(2,3)4)20-14(21-15)10-7-6-8-11(18)9-10/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyMUMXJNGVNIPHGW-UHFFFAOYSA-N
MW368.71 g/mol
LogP5.29
Rot. Bonds3

About 5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine

5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine (PubChem CID 66307616) has the molecular formula C16H19BrClN3 and a molecular weight of 368.71 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
PubChem CID66307616
Molecular FormulaC16H19BrClN3
Molecular Weight368.71 g/mol
Exact Mass367.05
IUPAC Name5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(Cl)c2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C16H19BrClN3/c1-5-19-15-12(17)13(16(2,3)4)20-14(21-15)10-7-6-8-11(18)9-10/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyMUMXJNGVNIPHGW-UHFFFAOYSA-N
XLogP5.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
CID 66300037
5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66304892
2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63561739
6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 63485047
2-(3-chlorophenyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486503
5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine
CID 66299451
5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 66305425
5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 66307012
5-bromo-4-tert-butyl-6-chloro-2-(3-ethoxyphenyl)pyrimidine
CID 66293166
5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 79980369
5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine
CID 66291931
5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine
CID 66293992

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine (CID 66307616) is 5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine is CCNc1nc(-c2cccc(Cl)c2)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is MUMXJNGVNIPHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClN3/c1-5-19-15-12(17)13(16(2,3)4)20-14(21-15)10-7-6-8-11(18)9-10/h6-9H,5H2,1-4H3,(H,19,20,21).
What are the key properties of 5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 368.71 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 66307616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).