5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

C17H20BrN3 — CID 66296102

IUPAC5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCNc1nc(-c2c(C)cc(C)cc2C)nc(C2CC2)c1Br
InChIInChI=1S/C17H20BrN3/c1-9-7-10(2)13(11(3)8-9)16-20-15(12-5-6-12)14(18)17(19-4)21-16/h7-8,12H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyUOCMQBWBEZGTDU-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.75
Rot. Bonds3

About 5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (PubChem CID 66296102) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
PubChem CID66296102
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCNc1nc(-c2c(C)cc(C)cc2C)nc(C2CC2)c1Br
InChIInChI=1S/C17H20BrN3/c1-9-7-10(2)13(11(3)8-9)16-20-15(12-5-6-12)14(18)17(19-4)21-16/h7-8,12H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyUOCMQBWBEZGTDU-UHFFFAOYSA-N
XLogP4.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (CID 66296102) is 5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is CNc1nc(-c2c(C)cc(C)cc2C)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is UOCMQBWBEZGTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-9-7-10(2)13(11(3)8-9)16-20-15(12-5-6-12)14(18)17(19-4)21-16/h7-8,12H,5-6H2,1-4H3,(H,19,20,21).
What are the key properties of 5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 346.27 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66296102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).